cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1349466
title: Materials Data on ZrZnO3 by Materials Project

description: ZnZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ZrO3 framework and one zinc molecule. In the ZrO3 framework, Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.07 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ atoms.
DOI: 10.17188/1349467
title: Materials Data on SiHgO3 by Materials Project

description: HgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Hg–O bond lengths are 2.59 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.83 Å. O2- is bonded in a distorted linear geometry to four equivalent Hg2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1349468
title: Materials Data on BaGeO3 by Materials Project

description: BaGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Ba–O bond lengths are 2.81 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1349469
title: Materials Data on CaRhO3 by Materials Project

description: CaRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Ca–O bond lengths are 2.80 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Rh4+ atoms to form a mixture of distorted corner, edge, and face-sharing OCa4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1349470
title: Materials Data on MgTiO3 by Materials Project

description: MgTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Mg–O bond lengths are 2.72 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti4+ atoms.
DOI: 10.17188/1349471
title: Materials Data on HgRuO3 by Materials Project

description: RuHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.97 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Hg–O bond lengths are 2.79 Å. O2- is bonded in a distorted linear geometry to two equivalent Ru4+ and four equivalent Hg2+ atoms.
DOI: 10.17188/1349472
title: Materials Data on HfMgO3 by Materials Project

description: MgHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form distorted MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Mg–O bond lengths are 2.88 Å. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.04 Å. O2- is bonded in a linear geometry to four equivalent Mg2+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1349473
title: Materials Data on SrIrO3 by Materials Project

description: SrIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Sr–O bond lengths are 2.83 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ir4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1349474
title: Materials Data on CdRhO3 by Materials Project

description: RhCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.98 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Cd–O bond lengths are 2.79 Å. O2- is bonded in a distorted linear geometry to two equivalent Rh4+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1349475
title: Materials Data on CaHfO3 by Materials Project

description: CaHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Ca–O bond lengths are 2.90 Å. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1349476
title: Materials Data on CdOsO3 by Materials Project

description: OsCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.97 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Cd–O bond lengths are 2.79 Å. O2- is bonded in a distorted linear geometry to two equivalent Os4+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1349477
title: Materials Data on ZnSnO3 by Materials Project

description: ZnSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Zn–O bond lengths are 2.85 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.01 Å. O2- is bonded in a linear geometry to four equivalent Zn2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1349478
title: Materials Data on CaGeO3 by Materials Project

description: CaGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Ca–O bond lengths are 2.68 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1349479
title: Materials Data on ZnRhO3 by Materials Project

description: RhZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.95 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Zn–O bond lengths are 2.75 Å. O2- is bonded in a distorted linear geometry to two equivalent Rh4+ and four equivalent Zn2+ atoms.
DOI: 10.17188/1349480
title: Materials Data on ZnIrO3 by Materials Project

description: IrZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.95 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Zn–O bond lengths are 2.76 Å. O2- is bonded in a distorted linear geometry to two equivalent Ir4+ and four equivalent Zn2+ atoms.
DOI: 10.17188/1349481
title: Materials Data on CaIrO3 by Materials Project

description: CaIrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Ca–O bond lengths are 2.80 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Ir4+ atoms to form a mixture of distorted face, edge, and corner-sharing OCa4Ir2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1349482
title: Materials Data on MgRuO3 by Materials Project

description: MgRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Mg–O bond lengths are 2.75 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ru4+ atoms.
DOI: 10.17188/1349483
title: Materials Data on HgIrO3 by Materials Project

description: IrHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.98 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent IrO6 octahedra. All Hg–O bond lengths are 2.81 Å. O2- is bonded in a distorted linear geometry to two equivalent Ir4+ and four equivalent Hg2+ atoms.
DOI: 10.17188/1349484
title: Materials Data on BaRhO3 by Materials Project

description: BaRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Ba–O bond lengths are 2.90 Å. Rh4+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 2.05 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Rh4+ atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1349485
title: Materials Data on CdRuO3 by Materials Project

description: RuCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.96 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Cd–O bond lengths are 2.78 Å. O2- is bonded in a distorted linear geometry to two equivalent Ru4+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1349486
title: Materials Data on MgZrO3 by Materials Project

description: MgZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one magnesium molecule and one ZrO3 framework. In the ZrO3 framework, Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.07 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ atoms.
DOI: 10.17188/1349487
title: Materials Data on CdGeO3 by Materials Project

description: CdGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Cd–O bond lengths are 2.67 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Cd2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1349488
title: Materials Data on VCdO3 by Materials Project

description: CdVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.92 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Cd–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent V4+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1349489
title: Materials Data on MnCdO3 by Materials Project

description: MnCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.91 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Cd–O bond lengths are 2.70 Å. O2- is bonded in a distorted linear geometry to two equivalent Mn4+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1349490
title: Materials Data on MgGeO3 by Materials Project

description: MgGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Mg–O bond lengths are 2.63 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1349491
title: Materials Data on CdSiO3 by Materials Project

description: CdSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Cd–O bond lengths are 2.56 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Cd2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1349492
title: Materials Data on MnZnO3 by Materials Project

description: ZnMnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.87 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Zn–O bond lengths are 2.64 Å. O2- is bonded in a distorted linear geometry to two equivalent Mn4+ and four equivalent Zn2+ atoms.
DOI: 10.17188/1349493
title: Materials Data on BaSiO3 by Materials Project

description: BaSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Ba–O bond lengths are 2.71 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1349494
title: Materials Data on BaMnO3 by Materials Project

description: BaMnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Ba–O bond lengths are 2.85 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Mn4+ atoms.