Crystal Structure and Physica Properties of Perovskite Oxide BaMO3 (M Being Transition Metal)
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摘要: 钙钛矿氧化物BaMO3（M为过渡族金属）具有复杂的晶体结构和物理性质，本文系统地总结了BaMO3的研究进展，重点关注在 M 元素变化过程中晶体结构和物理性质的演化，以及高压调控下的结构相变、电输运性质和磁学性质的变化，讨论了M离子半径及合成压力对六方钙钛矿到钙钛矿演化过程的影响，同时对该领域中一些问题做了展望，探讨了这一体系可能出现的新的原子组合和结构，相应材料可能具有的新特性和科学意义。Abstract: The perovskite oxide BaMO3 (M being transition metal) has a complex crystal structure and physical properties. This article systematically summarizes the research progress, focusing on the evolution of crystal structure and physical properties during the M element change process, as well as the structural phase transition, electrical transport properties, and magnetic properties regulation under high-pressure. The influence of M ion radius and synthesis pressure on the evolution process from hexagonal perovskite to perovskite is discussed, and some issues in this field are also discussed. The possible new atomic combinations and structures in this system, as well as the new characteristics and scientific significance of these corresponding materials, are discussed.
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随着社会高速发展，特别是我国“双碳目标”的提出，对清洁能源的需求与日俱增，氢能作为一种环保、高效的新能源受到广泛关注。考虑到氢气管道建设成本高，利用现有的天然气管道，向甲烷中掺入一定量的氢气进而提升混合燃料热值，已成为一种经济可行的解决方案[1]。值得关注的是，近年来天然气输运事故屡有发生，若向其掺入氢气，有可能进一步加剧爆炸的危险性。倪靖等[2]讨论了不同掺氢比对甲烷-氧气爆轰特性的影响，发现掺氢后能够提高爆轰波的传播速度和爆轰敏感性。余明高等[3]通过实验研究了障碍物对甲烷-氢气爆炸特性的影响，发现最大爆炸超压和火焰传播速度随着障碍物阻塞率以及氢气体积分数的增大而增大。Yu等[4]研究了掺氢对甲烷-空气预混火焰传播特性的影响，发现随着氢气含量的增加，火焰前沿速度和爆炸超压显著升高。
鉴于可燃气体在运输过程中的危险性，大量学者对可燃气体的抑爆问题开展了研究。Li等[5]发现CO2对甲烷爆炸的抑制效果好于N2。Luo等[6]研究BC粉对氢气-甲烷-空气预混气的抑制后发现，BC粉对掺氢比低的预混气体有较好的抑制作用。陈鹏等[7]发现当金属丝网层数大于3时，甲烷-空气预混气爆炸火焰经过金属丝网时会发生淬熄。徐海顺等[8]通过研究发现铝镁合金泡沫对甲烷-空气预混气体爆炸有较好的抑制作用，材料对传播火焰的影响机制主要体现在湍流促进和冷却抑制两方面。袁必和等[9] 研究了新型多孔聚丙烯复合材料对瓦斯爆炸的影响，发现多孔材料的抑爆性能受填充位置、材料内径以及填充长度的影响。An等[10]通过对比球形非金属材料和铝合金材料对可燃气体的抑爆结果，发现由于球形非金属材料具有较高的结构强度，因而抑爆效果较好。邵继伟等[11]研究多孔材料对可燃气体的抑爆效果后发现，组合型多孔材料在密闭容器管道系统内的抑爆效果更为突出。综合以上研究发现，非金属多孔材料对抑制甲烷爆炸具有良好的效果，但甲烷掺氢的爆炸特性较甲烷出现明显改变，并且前人对非金属多孔材料在甲烷掺氢抑爆方面的研究较少。传统的非金属材料存在易燃、爆炸后熔融物易黏附管道内壁等缺陷，严重限制了多孔非金属材料在可燃气体抑爆中的实际应用。球形抑爆材料中空多孔结构能够有效增大比表面积，扩大热损失，并且耐高温耐火焰，具有良好的阻火隔爆性质[12-13]。
本研究通过实验探究掺氢比对甲烷掺氢爆炸特性的影响，比较单一球形多孔非金属材料和组合球形多孔非金属材料的抑爆效能，并通过改变材料填充长度，分析最佳阻火抑爆性能的搭配参数，为球形多孔非金属材料在混合燃料阻隔防爆领域的应用提供理论支撑与实验依据。
1. 实验装置与方案
1.1 实验装置与流程
为研究掺氢比对甲烷掺氢预混气体爆炸的影响并测试球形多孔材料的抑爆性能，自主搭建了气体管道爆炸实验平台，如图1所示。实验平台主要包括爆炸实验管道、点火系统、配气系统、同步控制、高速摄像系统（拍摄速度4 000帧每秒）以及数据采集系统。
实验管道由3节内径60 mm、管壁厚度10 mm、外径80 mm、长度2 m的水平圆形管道以及1节内径60 mm、长0.5 m、配备可视窗的方形管道组成，各个管道之间通过法兰-螺栓连接，实验管道为封闭状态。实验管道共安装2台压力传感器（CYG508微型高压传感器），分别距离管道左端1.2和6.3 m。点火系统（距离管道右端0.5 m处）由高压点火器以及2根钨丝组成，实验中点火能采用20 J。配气系统通过气瓶连接配气仪进行配气，预混气体中可燃气体的体积分数为10%。通过高速摄像系统采集火焰图像。实验过程如下：首先，清洁管道，连接管道和仪器；然后，检查管道气密性，采用抽真空法配气，向管道中通入预混气体；接着点火触发，数据采集系统对实验数据进行采集；最后，排出废气，重复实验，每组实验重复多次。
1.2 实验材料及实验方案
本实验的主要材料为球形多孔非金属材料和聚氨酯（polyurethane，PU）材料，如图2所示。球形多孔非金属材料的主要材质为聚偏氟乙烯，化学性质稳定，具有很强的抗冲击性和耐高温性，并且球形材料为多孔结构，孔隙率大，比表面积大。组合球形内部填充材料主要为聚氨酯，聚氨酯材料的可塑性较强，对爆燃火焰的传播具有一定的抑制作用[14]。
最大爆炸压力（pmax）是评价爆炸强度以及材料抑爆性能的重要指标。为了判断掺氢比对可燃气体爆炸的影响以及单一球形多孔非金属材料和组合球形非金属材料的抑爆性能，设计如下实验方案：首先研究不同掺氢比x对pmax的影响，分别对掺氢比为0%、5%、10%的甲烷掺氢预混气体进行测试，记录管道内爆炸压力并进行对比分析；在此基础上，研究多孔抑爆材料对pmax的影响，选取pmax最大的预混气体，分别对单一球形材料和组合球形材料进行抑爆实验，填充于距管道左端1.5 m的位置，填充长度分别为20、30、40 cm，对不同填充长度的同一材料以及相同填充长度的不同材料进行对比分析，判断其抑爆性能。
掺氢比x表示为
x=φ(H2)φ(CH4)+φ(H2)×100% (1) 式中：
φ(CH4) 、φ(H2) 分别为甲烷-氢气混合气体中甲烷和氢气的体积分数。2. 实验结果及分析
2.1 掺氢比对爆炸压力的影响
管道中不同掺氢比对预混气体爆炸压力随时间的变化曲线如图3所示。从图3可以看出，1号压力传感器所采集的压力峰值随着氢气体积分数的增大而增大。不同掺氢比对火焰图像的影响如图4所示。对比发现，随着掺氢比的提高，火焰的亮度明显变强，甲烷-空气预混气体掺氢后火焰传播特性及爆炸特性发生显著改变，氢气对甲烷爆炸具有促进作用[15]。
图 3 掺氢比对预混气体爆炸压力的影响Figure 3. Effect of hydrogen doping ratio on explosion pressure of premixed gas
图 4 不同掺氢比条件下甲烷掺氢爆炸火焰传播图像Figure 4. Flame propagation images of methane hydrogen-doped syngas under different hydrogen doping ratios预混气体爆炸压力是反映爆炸破坏效应的重要指标，爆炸压力越大，爆炸造成的后果往往越严重。掺氢比对预混气体最大爆炸压力pmax和最大爆炸压力上升速率(dp/dt)max的影响如图5所示。当掺氢比为0%、5%、10%时，1号压力传感器处的pmax分别为200、235、245 kPa，(dp/dt)max分别为2 250、2 875、3 250 kPa/s。与未掺氢（掺氢比为0%）相比，掺氢比为10%时，1号压力传感器处的pmax提高22.50%，(dp/dt)max提高44.44%，2号传感器处的(dp/dt)max提高26.67%，说明掺氢比较低时，pmax和(dp/dt)max均随着氢气含量的增加而增大，爆炸强度增大。这是由于氢气的活性高于甲烷，反应比甲烷剧烈，发生爆炸反应的时间更短，随着掺氢比的增加，单位体积内氢气的量增多，氢气比例的升高增强了能量释放的集中程度，气体燃烧速率加快，缩短了热量损失时间，导致爆炸压力上升速率提高[16]。
图 5 不同掺氢比条件下最大爆炸压力和最大爆炸压力上升速率曲线Figure 5. Maximum explosion pressure and maximum pressure rise rate for different hydrogen doping ratios2.2 单一球形材料对爆炸压力的影响
为研究球形非金属材料对甲烷掺氢后预混气体爆炸的抑制作用，采用爆炸压力较大的掺氢比为10%的预混气体进行对照。空管道与填充不同长度的抑爆材料对爆炸压力的影响如图6所示，其中0 cm代表无抑爆材料。由图6可知，填充抑爆材料后，各个工况下的pmax均小于无抑爆材料。1号、2号压力传感器测得无抑爆材料的pmax分别为245、200 kPa。当抑爆材料的填充长度分别为20、30、40 cm时，1号压力传感器处的pmax分别为205、185、175 kPa，对比无抑爆材料时的pmax分别降低了16.33%、24.49%、28.57%，爆炸压力得到有效抑制。这是由于球形抑爆材料是多孔中空塑料球形结构，有较大的比表面积，并且球形材料把管道空间切割成多个小空间，增大了反应面与球形材料表面的接触面积，促进了球形材料与火焰的热交换，增加了热损失，并且冲击波通过球形材料时，被切割的反应面与后面的球形材料发生碰撞导致能量损失，进而使爆炸压力降低[12]。2号压力传感器处各个工况下的pmax相较于无抑爆材料分别降低5.00%、5.00%、12.50%，抑制效果较弱。这是由于随着火焰传播，火焰通过球形抑爆材料后再无障碍物，燃烧速率加快，火焰到达2号压力传感器时已充分反应，致使降压效果不明显。
图 6 不同填充长度条件下单一球形材料对预混气体爆炸压力的影响Figure 6. Effect of single spherical material with different filling lengths on explosion pressure of premixed gas不同填充长度对(dp/dt)max的影响如图7所示。在低填充长度下，(dp/dt)max有所上升，当填充长度为20 cm时，1号压力传感器处的(dp/dt)max提高7.69%，2号压力传感器处提高36.84%。重复实验均显示(dp/dt)max提高，这是由于当球形材料的填充长度较低时，火焰在穿越过程中的湍流度增大，燃烧传质传热进程加快，燃烧强度增大，火焰传播速度进一步加快[8]。随着填充长度的增加，火焰被分离成多个离散的湍流火焰，最大爆炸压力上升速率逐渐降低，填充长度为40 cm时，相较于无抑爆材料，1号压力传感器处的(dp/dt)max降低33.85%。
图 7 不同填充长度条件下最大爆炸压力和最大爆炸压力上升速率曲线Figure 7. Maximum explosion pressure and maximum pressure rise rate for different filling lengths2.3 组合球形材料对爆炸压力的影响
不同长度的组合球形材料对爆炸压力的影响曲线如图8所示。从图8可以看出：与无抑爆材料相比，填充组合球形材料后pmax明显降低，说明组合球形材料对管道内可燃气体爆炸有较好的抑制效果。当填充长度分别为20、30、40 cm时，1号压力传感器测得的pmax分别为160、155、120 kPa，与无抑爆材料相比，分别衰减了34.69%、36.73%、51.02%，相较于单一球形非金属材料，抑爆性能分别提升了112.43%、49.98%、78.58%；2号压力传感器测得的pmax为135、135、110 kPa，与无抑爆材料相比，分别衰减了32.50%、32.50%、45.00%。可以看到，当填充长度为20和30 cm时，抑爆性能差别不大，这是多孔材料冷却抑制与障碍物加压共同作用的结果： 当火焰经过球形多孔抑爆材料时，材料会吸收热量从而对爆炸产生抑制效果，材料的填充长度越长，抑制效果越好；球形材料在管道中相当于障碍物，火焰经过障碍物时层流会转变成湍流，增加障碍物数量能够明显增大火焰传播过程中的湍流强度，导致压力上升[3]。当填充长度较低时，材料冷却抑制效果与障碍物加压效果相互抵消，最终导致抑制作用较接近。
图 8 不同填充长度的组合球形材料对预混气体爆炸压力的影响Figure 8. Effect of combined spherical material with different filling lengths on explosion pressure of premixed gas从图9中可以看出，(dp/dt)max也得到了较大程度的抑制，与无抑爆材料相比，填充长度为20、30、40 cm时，1号压力传感器处的(dp/dt)max分别衰减34.62%、46.15%、53.85%，2号压力传感器处的(dp/dt)max最高衰减了47.37%，抑制效果明显。与单一球形材料相比，组合球形材料的抑爆性能得到大幅增强。这是由于爆炸穿越填充材料时，被球形材料多孔结构离散后的湍流火焰和冲击波能量与球形多孔材料中的聚氨酯材料接触，聚氨酯材料粗糙的壁面消耗了链式反应中的自由基，阻碍燃烧链式反应的进行，并使部分火焰热量转移到聚氨酯材料中，在火焰与聚氨酯材料发生碰撞的过程中，聚氨酯材料与冲击波产生摩擦，导致部分冲击波能量转化为热量并消散掉[14]。
图 9 不同填充长度条件下最大爆炸压力和最大爆炸压力上升速率曲线Figure 9. Maximum explosion pressure and maximum pressure rise rate for different filling lengths3. 结 论
基于自主搭建的气体爆炸管道平台，研究了不同掺氢比条件下甲烷掺氢的爆炸特性以及不同类型球形抑爆材料的抑爆性能，得到以下结论。
(1) 氢气对甲烷-空气爆炸具有一定的促进作用。在低掺氢比下，随着可燃气体中氢气体积分数的增加，火焰传播速率加快，最大爆炸压力和最大爆炸压力上升速率升高。
(2) 单一球形多孔非金属材料对可燃气体爆炸具有两方面作用：一方面为抑制作用，体现在填充材料后，球形材料会吸收能量，导致最大爆炸压力降低，并且填充长度越长，抑制效果越好；另一方面为促进作用，体现在填充长度较低时，会导致燃烧传质传热进程加快，火焰传播加速，导致最大爆炸压力上升速率上升。
(3) 组合球形多孔非金属材料与单一球形多孔非金属材料相比，抑爆性能大幅提升，降压效果明显，当填充长度为40 cm时，最大爆炸压力衰减51.02%。球形材料抑爆性能受填充长度影响，在冷却抑制与障碍物增压的共同作用下，填充20和30 cm的组合球形多孔非金属材料的抑爆效果相差不大。
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图 1 (a) 立方和(b) 正交钙钛矿的晶体结构示意图
Figure 1. Schematic views of the crystallographic forms of (a) cubic and (b) orthorhombic perovskite
图 2 BX6八面体(a)共顶点连接和(b)共面连接时A-X配位示意图
Figure 2. Schematic views of A-X coordinations while BX6 octahedrons are connected by (a) vertex and (b) plane
图 4 (a) 5H-BaMO3和(b) 14H-BaMO3的晶体结构示意图
Figure 4. Schematic views of crystal structure of (a) 5H-BaMO3 and (b) 14H-BaMO3
图 8 (a) 4H-BaMO3、(b) 12R-BaMO3和(c) 27R-BaMO3的晶体结构示意图
Figure 8. Schematic diagram of crystal structure of (a) 4H-BaMO3, (b) 12R-BaMO3, and (c) 27R-BaMO3
图 11 (a) 2H-BaMO3、(b) 9R-BaMO3、(c) 6H'-BaMO3、(d) 8H-BaMO3、(e) 10H-BaMO3、(f) 15R-BaMO3和(g) 21R-BaMO3的晶体结构示意图
Figure 11. Schematic diagrams of crystal structures of (a) 2H-BaMO3, (b) 9R-BaMO3, (c) 6H'-BaMO3, (d) 8H-BaMO3, (e) 10H-BaMO3, (f) 15R-BaMO3, and (g) 21R-BaMO3
图 13 (a) “12R”-BaMO3和(b) 12M-BaMO3的晶体结构示意图
Figure 13. Schematic diagram of crystal structure of(a) “12R”-BaMO3 and (b) 12M-BaMO3
图 16 (a) 2H'-BaMO3、(b) 12H-BaMO3和(c) 3C'-BaMO3的晶体结构示意图
Figure 16. Schematic diagram of crystal structure of (a) 2H'-BaMO3, (b) 12H-BaMO3, and (c) 3C'-BaMO3
图 21 (a) 9M-BaMO3、(b) 5M-BaMO3、(c) 6M-BaMO3和(d) 四方钙钛矿BaMO3的晶体结构示意图
Figure 21. Schematic views of the crystal structure of (a) 9M-BaMO3, (b) 5M-BaMO3,(c) 6M-BaMO3, and (d) tetragonal perovskite BaMO3
图 26 BaMO3（M为过渡金属离子）的多层堆积变体
Figure 26. Multi-layer stacked variants of BaMO3 (M is a transition metal)
图 27 BaMO3（M = V, Cr, Mn, Ru, Os, Rh, Ir）在不同合成压力范围内的多层堆积变体
Figure 27. Multi-layer stacked variants of BaMO3 (M = V, Cr, Mn, Ru, Os, Rh, Ir) in different synthetic pressures
图 28 BaMO3中MO6八面体连接情况随合成压力的演化
Figure 28. Evolution of MO6 octahedron’s connectivity in BaMO3 with synthetic pressure
图 29 BaMO3的(a) 每个化学式的晶胞体积V/Z、(b) 近邻多聚体之间的M-M距离dM-M、(c) 轴比率(c/a)/N、(d) 多聚体内M-M之间的距离
d′M-M ，(e) Ba-O之间的平均距离ˉdBa-O 和(f) M-O之间的平均距离ˉdM-O 随M离子半径的变化关系Figure 29. Relations of (a) volume per chemical formula V/Z, (b) M-M distance between neighbour polymers dM-M,(c) axis ratio (c/a)/N, (d) M-M distance in one polymer
d′M-M ; (e) average distance of Ba-OˉdBa-O ; (f) average distance of M-OˉdM-O versus M ion radius of BaMO3
图 30 BaMO3的“容忍因子”t'随M离子半径的变化关系
Figure 30. Relationship of “tolerance factor” t' versus M ion radius of BaMO3
图 31 BaMO3的(a) 剩余电阻率ρ0和(b) 剩余电阻比率rRRR
Figure 31. (a) Residual resistivity ρ0 and (b) residual resistivity ratio rRRR of BaMO3
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[1] GOLDSCHMIDT V M. Die gesetze der krystallochemie [J]. Naturwissenschaften, 1926, 14(21): 477–485. doi: 10.1007/BF01507527 [2] GLAZER A M. The classification of tilted octahedra in perovskites [J]. Acta Crystallographica Section B, 1972, 28(11): 3384–3392. doi: 10.1107/S0567740872007976 [3] SHANNON R D. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides [J]. Acta Crystallographica Section A, 1976, 32(5): 751–767. doi: 10.1107/S0567739476001551 [4] NGUYEN L T, CAVA R J. Hexagonal perovskites as quantum materials [J]. Chemical Reviews, 2021, 121(5): 2935–2965. doi: 10.1021/acs.chemrev.0c00622 [5] AKIMOTO J, GOTOH Y, OSAWA Y. Refinement of hexagonal BaTiO3 [J]. Acta Crystallographica Section C, 1994, 50(2): 160–161. [6] HAYWARD S A, REDFERN S A T, STONE H J, et al. Phase transitions in BaTiO3: a high-pressure neutron diffraction study [J]. Zeitschrift für Kristallographie-Crystalline Materials, 2005, 220(8): 735–739. [7] LIU G, GREEDAN J E. Syntheses, structures, and characterization of 5-layer BaVO3− x (x = 0.2, 0.1, 0.0) [J]. Journal of Solid State Chemistry, 1994, 110(2): 274–289. doi: 10.1006/jssc.1994.1170 [8] NISHIMURA K, YAMADA I, OKA K, et al. High-pressure synthesis of BaVO3: a new cubic perovskite [J]. Journal of Physics and Chemistry of Solids, 2014, 75(6): 710–712. doi: 10.1016/j.jpcs.2014.02.001 [9] CHAMBERLAND B L, DANIELSON P S. Alkaline-earth vanadium (Ⅳ) oxides having the AVO3 composition [J]. Journal of Solid State Chemistry, 1971, 3(2): 243–247. doi: 10.1016/0022-4596(71)90035-1 [10] ARÉVALO-LÓPEZ A M, ATTFIELD J P. High-pressure BaCrO3 polytypes and the 5H-BaCrO2.8 phase [J]. Journal of Solid State Chemistry, 2015, 232: 236–240. doi: 10.1016/j.jssc.2015.09.029 [11] CHAMBERLAND B L. Crystal structure of the 4H BaCrO3 polytype [J]. Journal of Solid State Chemistry, 1982, 43(3): 309–313. doi: 10.1016/0022-4596(82)90245-6 [12] CHAMBERLAND B L. Crystal structure of the 6H BaCrO3 polytype [J]. Journal of Solid State Chemistry, 1983, 48(3): 318–322. doi: 10.1016/0022-4596(83)90088-9 [13] CHAMBERLAND B L. Preparation and crystallographic properties of barium chromate (Ⅳ) polytypes [J]. Inorganic Chemistry, 1969, 8(2): 286–290. doi: 10.1021/ic50072a021 [14] CHAMBERLAND B L, KATZ L. The structure of the fourteen-layer polytype of barium chromium trioxide, BaCrO3 [J]. Acta Crystallographica Section B, 1982, 38(1): 54–57. doi: 10.1107/S0567740882002039 [15] HARADEM P S, CHAMBERLAND B L, KATZ L. The structure of the 27-layer polytype of BaCrO3 [J]. Journal of Solid State Chemistry, 1980, 34(1): 59–64. doi: 10.1016/0022-4596(80)90403-X [16] ARÉVALO-LÓPEZ A M, REEVES S J, ATTFIELD J P. Ferrimagnetism in the high pressure 6H-perovskite BaCrO3 [J]. Zeitschrift für Anorganische und Allgemeine Chemie, 2014, 640(14): 2727–2729. [17] CUSSEN E J, BATTLE P D. Crystal and magnetic structures of 2H BaMnO3 [J]. Chemistry of Materials, 2000, 12(3): 831–838. doi: 10.1021/cm991144j [18] SYONO Y, AKIMOTO S I, KOHN K. Structure relations of hexagonal perovskite-like compounds ABX3 at high pressure [J]. Journal of the Physical Society of Japan, 1969, 26(4): 993–999. doi: 10.1143/JPSJ.26.993 [19] CHRISTENSEN A N, OLLIVIER G. Hydrothermal and high-pressure preparation of some BaMnO3 modifications and low-temperature magnetic properties of BaMnO3(2H) [J]. Journal of Solid State Chemistry, 1972, 4(1): 131–137. doi: 10.1016/0022-4596(72)90141-7 [20] BOULLAY P, HERVIEU M, LABBÉ P, et al. Single crystal and HREM study of the “Bi-Sr” stabilized BaMnO3 9R polytype [J]. Materials Research Bulletin, 1997, 32(1): 35–42. doi: 10.1016/S0025-5408(96)00169-9 [21] HARDY A. Structures cristallines de deux variétés allotropiques de manganite de baryum. Nouvelle structure ABO3 [J]. Acta Crystallographica, 1962, 15(3): 179–181. doi: 10.1107/S0365110X6200047X [22] QIN S J, CHIN Y Y, ZHOU B W, et al. High-pressure synthesis and magnetism of the 4H-BaMnO3 single crystal and its 6H-type polymorph [J]. Inorganic Chemistry, 2021, 60(21): 16308–16315. doi: 10.1021/acs.inorgchem.1c02155 [23] ADKIN J J, HAYWARD M A. BaMnO3− x revisited: a structural and magnetic study [J]. Chemistry of Materials, 2007, 19(4): 755–762. doi: 10.1021/cm062055r [24] POTOFF A D, CHAMBERLAND B L, KATZ L. A single crystal study of eight-layer barium managanese oxide, BaMnO3 [J]. Journal of Solid State Chemistry, 1973, 8(3): 234–237. doi: 10.1016/0022-4596(73)90090-X [25] PARRAS M, GONZÁLEZ-CALBET J M, ALONSO J, et al. Microstructural characterization of BaMnO3− y (0.08 ≤ y ≤ 0.12): evidence for a new polytype (21R) [J]. Journal of Solid State Chemistry, 1994, 113(1): 78–87. doi: 10.1006/jssc.1994.1344 [26] POOJITHA B, RATHORE A, KUMAR A, et al. Signatures of magnetostriction and spin-phonon coupling in magnetoelectric hexagonal 15R-BaMnO3 [J]. Physical Review B, 2020, 102(13): 134436. doi: 10.1103/PhysRevB.102.134436 [27] KORNETA O B, QI T F, GE M, et al. Correlated giant dielectric peaks and antiferromagnetic transitions near room temperature in pure and alkali-doped BaMnO3-δ [J]. Journal of Physics: Condensed Matter, 2011, 23(43): 435901. doi: 10.1088/0953-8984/23/43/435901 [28] GONZÁLEZ-CALBET J M, PARRAS M, ALONSO J, et al. Prediction of novel BaMnO3− y (0 < y < 0.1) perovskite related phases [J]. Journal of Solid State Chemistry, 1994, 111(1): 202–207. doi: 10.1006/jssc.1994.1218 [29] PARRAS M, VALLET-REGI M, GONZALEZ-CALBET J M, et al. A reassessment of Ba2Fe2O5 [J]. Materials Research Bulletin, 1987, 22(10): 1413–1419. doi: 10.1016/0025-5408(87)90306-0 [30] MORI K, KAMIYAMA T, KOBAYASHI H, et al. Structural evidence for the charge disproportionation of Fe4+ in BaFeO3−δ [J]. Journal of the Physical Society of Japan, 2003, 72(8): 2024–2028. doi: 10.1143/JPSJ.72.2024 [31] MORI K, KAMIYAMA T, KOBAYASHI H, et al. Mixed magnetic phase in 6H-type BaFeO3− δ [J]. Journal of Applied Crystallography, 2007, 40(Suppl 1): s501–s505. doi: 10.1107/S0021889807001653 [32] GÓMEZ M I, LUCOTTI G, DE MORÁN J A, et al. Ab initio structure solution of BaFeO2.8− δ, a new polytype in the system BaFeO y (2.5 ≤ y ≤ 3.0) prepared from the oxidative thermal decomposition of BaFe[(CN)5NO]·3H2O [J]. Journal of Solid State Chemistry, 2001, 160(1): 17–24. doi: 10.1006/jssc.2001.9119 [33] PARRAS M, VALLETREGI M, GONZALEZCALBET J M, et al. A structural study of 12H-BaFeO2.93 [J]. European Journal of Solid State and Inorganic Chemistry, 1989, 26(3): 299–312. [34] TAN Z H, ROMERO F D, SAITO T, et al. Charge disproportionation and interchange transitions in twelve-layer BaFeO3 [J]. Physical Review B, 2020, 102(5): 054404. doi: 10.1103/PhysRevB.102.054404 [35] HAYASHI N, YAMAMOTO T, KAGEYAMA H, et al. BaFeO3: a ferromagnetic iron oxide [J]. Angewandte Chemie International Edition, 2011, 50(52): 12547–12550. [36] MIZUMAKI M, YOSHII K, HAYASHI N, et al. Magnetocaloric effect of field-induced ferromagnet BaFeO3 [J]. Journal of Applied Physics, 2013, 114(7): 073901. doi: 10.1063/1.4818316 [37] LIU Y X, LIU Z H, LI Z, et al. Multiple magnetic transitions and electrical transport transformation of a BaFeO3 cubic perovskite single crystal [J]. Physical Review B, 2020, 101(14): 144421. doi: 10.1103/PhysRevB.101.144421 [38] STRAUSS S W, FANKUCHEN I, WARD R. Barium cobalt oxide of the perowskite type [J]. Journal of the American Chemical Society, 1951, 73(11): 5084–5086. doi: 10.1021/ja01155a019 [39] TAGUCHI H, TAKEDA Y, KANAMARU F, et al. Cobalt trioxide [J]. Acta Crystallographica Section B, 1977, 33(4): 1298–1299. doi: 10.1107/S0567740877005937 [40] WANG H D, YANG J H, DONG C H, et al. Crystal growth and characterization of the quasi-one-dimensional compound BaCoO3 [J]. Journal of Crystal Growth, 2015, 430: 52–54. doi: 10.1016/j.jcrysgro.2015.08.010 [41] SUGIYAMA J, NOZAKI H, BREWER J H, et al. Appearance of a two-dimensional antiferromagnetic order in quasi-one-dimensional cobalt oxides [J]. Physical Review B, 2005, 72(6): 064418. doi: 10.1103/PhysRevB.72.064418 [42] NOZAKI H, JANOSCHEK M, ROESSLI B, et al. Neutron diffraction and μSR study on the antiferromagnet BaCoO3 [J]. Physical Review B, 2007, 76(1): 014402. doi: 10.1103/PhysRevB.76.014402 [43] BOTTA P M, PARDO V, BALDOMIR D, et al. Dynamic magnetic behavior of BaCoO3 quasi-one-dimensional perovskite [J]. Physical Review B, 2006, 74(21): 214415. doi: 10.1103/PhysRevB.74.214415 [44] WANG H Z, XU X H, NI D R, et al. Impersonating a superconductor: high-pressure BaCoO3, an insulating ferromagnet [J]. Journal of the American Chemical Society, 2023, 145(39): 21203-21206. [45] JACOBSON A J, HUTCHISON J L. An investigation of the structure of 12H BaCoO2.6 by electron microscopy and powder neutron diffraction [J]. Journal of Solid State Chemistry, 1980, 35(3): 334–340. doi: 10.1016/0022-4596(80)90530-7 [46] PARRAS M, VARELA A, SEEHOFER H, et al. HREM study of the BaCoO3− y system: evidence for a new 5H phase [J]. Journal of Solid State Chemistry, 1995, 120(2): 327–331. doi: 10.1006/jssc.1995.1416 [47] MENTRÉ O, IORGULESCU M, HUVÉ M, et al. BaCoO2.22: the most oxygen-deficient certified cubic perovskite [J]. Dalton Transactions, 2015, 44(23): 10728–10737. [48] LANDER J J. The crystal structures of NiO·BaO3, NiO·BaO, BaNiO3 and intermediate phases with composition near Ba2Ni2O5, with a note on NiO [J]. Acta Crystallographica, 1951, 4(2): 148–156. doi: 10.1107/S0365110X51000441 [49] TAKEDA Y, SHIMADA M, KANAMARU F, et al. Preparation and magnetic property of BaNiO3 single crystals [J]. Chemistry Letters, 1974, 3(2): 107–108. doi: 10.1246/cl.1974.107 [50] DONOHUE P C, KATZ L, WARD R. The crystal structure of barium ruthenium oxide and related compounds [J]. Inorganic Chemistry, 1965, 4(3): 306–310. doi: 10.1021/ic50025a010 [51] RAO M V R, SATHE V G, SORNADURAI D, et al. Electronic structure of ARuO3 (A = Ca, Sr and Ba) compounds [J]. Journal of Physics and Chemistry of Solids, 2001, 62(4): 797–806. doi: 10.1016/S0022-3697(00)00262-6 [52] HONG S T, SLEIGHT A W. Crystal structure of 4H BaRuO3: high pressure phase prepared at ambient pressure [J]. Journal of Solid State Chemistry, 1997, 128(2): 251–255. [53] RIJSSENBEEK J T, JIN R, ZADOROZHNY Y, et al. Electrical and magnetic properties of the two crystallographic forms of BaRuO3 [J]. Physical Review B, 1999, 59(7): 4561–4564. doi: 10.1103/PhysRevB.59.4561 [54] ZHAO J G, YANG L X, YU Y, et al. Structural and physical properties of the 6H BaRuO3 polymorph synthesized under high pressure [J]. Journal of Solid State Chemistry, 2007, 180(10): 2816–2823. doi: 10.1016/j.jssc.2007.07.031 [55] JIN C Q, ZHOU J S, GOODENOUGH J B, et al. High-pressure synthesis of the cubic perovskite BaRuO3 and evolution of ferromagnetism in ARuO3 (A = Ca, Sr, Ba) ruthenates [J]. Proceedings of the National Academy of Sciences of the United States of America, 2008, 105(20): 7115–7119. [56] OGAWA T, SATO H. New ternary barium ruthenates: 10H-type BaRuO3 and Ba2Ru7O18 [J]. Journal of Alloys and Compounds, 2004, 383(1/2): 313–318. [57] ZHOU J S, MATSUBAYASHI K, UWATOKO Y, et al. Critical behavior of the ferromagnetic perovskite BaRuO3 [J]. Physical Review Letters, 2008, 101(7): 077206. doi: 10.1103/PhysRevLett.101.077206 [58] NEUMEIER J J, CORNELIUS A L, SCHILLING J S. Influence of pressure on the ferromagnetic transition temperature of SrRuO3 [J]. Physica B: Condensed Matter, 1994, 198(4): 324–328. [59] SIEGRIST T, CHAMBERLAND B L. The crystal structure of BaIrO3 [J]. Journal of the Less Common Metals, 1991, 170(1): 93–99. doi: 10.1016/0022-5088(91)90054-8 [60] CHENG J G, ALONSO J A, SUARD E, et al. A new perovskite polytype in the high-pressure sequence of BaIrO3 [J]. Journal of the American Chemical Society, 2009, 131(21): 7461–7469. [61] ZHAO J G, YANG L X, YU Y, et al. Physical properties of the 5M BaIrO3: a new weak ferromagnetic iridate synthesized under high pressure [J]. Solid State Communications, 2010, 150(1): 36–39. [62] ZHAO J G, YANG L X, YU Y, et al. Structural and physical properties of the 6M BaIrO3: a new metallic iridate synthesized under high pressure [J]. Inorganic Chemistry, 2009, 48(10): 4290–4294. [63] CHENG J G, ISHII T, KOJITANI H, et al. High-pressure synthesis of the BaIrO3 perovskite: a Pauli paramagnetic metal with a Fermi liquid ground state [J]. Physical Review B, 2013, 88(20): 205114. doi: 10.1103/PhysRevB.88.205114 [64] CHENG J G, ZHOU J S, ALONSO J A, et al. Transition from a weak ferromagnetic insulator to an exchange-enhanced paramagnetic metal in the BaIrO3 polytypes [J]. Physical Review B, 2009, 80(10): 104430. doi: 10.1103/PhysRevB.80.104430 [65] CAO G, CROW J E, GUERTIN R P, et al. Charge density wave formation accompanying ferromagnetic ordering in quasi-one-dimensional BaIrO3 [J]. Solid State Communications, 2000, 113(11): 657–662. doi: 10.1016/S0038-1098(99)00532-3 [66] POWELL A V, BATTLE P D. The electronic properties of non-stoichiometric barium iridate, BaIrO3− δ [J]. Journal of Alloys and Compounds, 1993, 191(2): 313–318. doi: 10.1016/0925-8388(93)90085-2 [67] ZHAO J G, YANG L X, MYDEEN K, et al. Effects of pressure on electrical property of BaIrO3 [J]. Solid State Communications, 2008, 148(9/10): 361–364. [68] KIDA T, SENDA A, YOSHII S, et al. Pressure effect on magnetic properties of a weak ferromagnet BaIrO3 [J]. Journal of Physics: Conference Series, 2010, 200(1): 012084. doi: 10.1088/1742-6596/200/1/012084 [69] SIEGRIST T, LARSON E M, CHAMBERLAND B L. Structural studies of high-pressure Ba-Rh-O phases [J]. Journal of Alloys and Compounds, 1994, 210(1/2): 13–17. [70] CHAMBERLAND B L, ANDERSON J B. The preparation and crystal structure of a BaRhO3 polytype [J]. Journal of Solid State Chemistry, 1981, 39(1): 114–119. doi: 10.1016/0022-4596(81)90309-1 [71] INJAC S D A, XU Y H, ROMERO F D, et al. Pauli-paramagnetic and metallic properties of high pressure polymorphs of BaRhO3 oxides containing Rh2O9 dimers [J]. Dalton Transactions, 2021, 50(13): 4673–4679. doi: 10.1039/D1DT00502B [72] MEGAW H D. Crystal structure of double oxides of the perovskite type [J]. Proceedings of the Physical Society, 1946, 58(2): 133–152. doi: 10.1088/0959-5309/58/2/301 [73] KOPNIN E M, ISTOMIN S Y, D’YACHENKO O G, et al. Synthesis, structure, and resistivity properties of K1− xBa xNbO3 (0.2 ≤ x ≤ 0.5) and K0.5Sr0.5NbO3 [J]. Materials Research Bulletin, 1995, 30(11): 1379–1386. doi: 10.1016/0025-5408(95)00117-4 [74] CASAIS M T, ALONSO J A, RASINES I, et al. Preparation, neutron structural study and characterization of BaNbO3: a Pauli-like metallic perovskite [J]. Materials Research Bulletin, 1995, 30(2): 201–208. [75] BRIXNER L H. X-ray study and electrical properties of system Ba xSr1− xMoO3 [J]. Journal of Inorganic and Nuclear Chemistry, 1960, 14(3/4): 225–230. [76] SCHOLDER R, RÄDE D, SCHWARZ H. Über zirkonate, hafnate und thorate von barium, strontium, lithium und natrium [J]. Zeitschrift für Anorganische und Allgemeine Chemie, 1968, 362(3/4): 149–168. [77] MULLER O, WHITE W B, ROY R. Crystal chemistry of some technetium-containing oxides [J]. Journal of Inorganic and Nuclear Chemistry, 1964, 26(12): 2075–2086. doi: 10.1016/0022-1902(64)80152-4 [78] SARKOZY R F, CHAMBERLAND B L. The preparation of several new ternary oxides of osmium [J]. Materials Research Bulletin, 1973, 8(12): 1351–1359. doi: 10.1016/0025-5408(73)90019-6 [79] CHAMBERLAND B L. Solid state preparations and reactions of ternary alkaline-earth osmium oxides [J]. Materials Research Bulletin, 1978, 13(12): 1273–1280. doi: 10.1016/0025-5408(78)90117-4 [80] SHI Y G, GUO Y F, SHIRAKO Y, et al. High-pressure synthesis of 5d cubic perovskite BaOsO3 at 17 GPa: ferromagnetic evolution over 3d to 5d series [J]. Journal of the American Chemical Society, 2013, 135(44): 16507–16516. doi: 10.1021/ja4074408 [81] GALLAGHER P K, JOHNSON JR D W, VOGEL E M, et al. Synthesis and structure of BaPtO3 [J]. Journal of Solid State Chemistry, 1977, 21(4): 277–282. doi: 10.1016/0022-4596(77)90126-8 [82] CASAPU M, GRUNWALDT J D, MACIEJEWSKI M, et al. Enhancement of activity and self-reactivation of NSR-catalysts by temporary formation of BaPtO3-perovskite [J]. Catalysis Letters, 2008, 120(1/2): 1–7. [83] YAMAMOTO T, SHITARA K, KITAGAWA S, et al. Selective hydride occupation in BaVO3− xH x (0.3 ≤ x ≤ 0.8) with face and corner-shared octahedra [J]. Chemistry of Materials, 2018, 30(5): 1566–1574. doi: 10.1021/acs.chemmater.7b04571 [84] YUSA H, SATA N, OHISHI Y. Rhombohedral (9R) and hexagonal (6H) perovskites in barium silicates under high pressure [J]. American Mineralogist, 2007, 92(4): 648–654. [85] HIRAMATSU H, YUSA H, IGARASHI R, et al. An exceptionally narrow band-gap (~4 eV) silicate predicted in the cubic perovskite structure: BaSiO3 [J]. Inorganic Chemistry, 2017, 56(17): 10535–10542. doi: 10.1021/acs.inorgchem.7b01510 [86] 谢亚飞, 姜昌国, 罗兴丽, 等. 6H型六方钙钛矿相BaGeO3 的高温高压合成 [J]. 高压物理学报, 2021, 35(5): 051201. doi: 10.11858/gywlxb.20210761XIE Y F, JIANG C G, LUO X L, et al. Synthesis of 6H-type hexagonal perovskite phase of BaGeO3 at high temperature and high pressure [J]. Chinese Journal of High Pressure Physics, 2021, 35(5): 051201. doi: 10.11858/gywlxb.20210761 [87] LONGO J M, KAFALAS J A. Pressure-induced structural changes in the system Ba1− xSr xRuO3 [J]. Materials Research Bulletin, 1968, 3(8): 687–692. [88] ZHAO J G, YANG L X, YU Y, et al. High-pressure synthesis of orthorhombic SrIrO3 perovskite and its positive magnetoresistance [J]. Journal of Applied Physics, 2008, 103(10): 103706. doi: 10.1063/1.2908879 [89] CAO G, BOLIVAR J, MCCALL S, et al. Weak ferromagnetism, metal-to-nonmetal transition, and negative differential resistivity in single-crystal Sr2IrO4 [J]. Physical Review B, 1998, 57(18): R11039–R11042. doi: 10.1103/PhysRevB.57.R11039 [90] CAO G, XIN Y, ALEXANDER C S, et al. Anomalous magnetic and transport behavior in the magnetic insulator Sr3Ir2O7 [J]. Physical Review B, 2002, 66(21): 214412. doi: 10.1103/PhysRevB.66.214412 -
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