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At least 1,099 records · Page 61
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DOE OSTI2020

Materials Data on Ca3PbO by Materials Project

Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgCo3C by Materials Project

MgCCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Co atoms to form MgCo12 cuboctahedra that share corners with twelve equivalent MgCo12 cuboctahedra, faces with six equivalent MgCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Mg–Co bond lengths are 2.67 Å. Co is bonded in a distorted linear geometry to four equivalent Mg and two equivalent C atoms. Both Co–C bond lengths are 1.89 Å. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent MgCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPt3C by Materials Project

Pt3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt2- is bonded in a distorted linear geometry to four equivalent Sn2+ and two equivalent C4+ atoms. All Pt–Sn bond lengths are 3.04 Å. Both Pt–C bond lengths are 2.15 Å. Sn2+ is bonded to twelve equivalent Pt2- atoms to form SnPt12 cuboctahedra that share corners with twelve equivalent SnPt12 cuboctahedra, faces with six equivalent SnPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent SnPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3InB by Materials Project

La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3SnC by Materials Project

SnCCo3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Co–Sn bond lengths are 2.72 Å. Both Co–C bond lengths are 1.92 Å. Sn is bonded to twelve equivalent Co atoms to form SnCo12 cuboctahedra that share corners with twelve equivalent SnCo12 cuboctahedra, faces with six equivalent SnCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. C is bonded to six equivalent Co atoms to form CCo6 octahedra that share corners with six equivalent CCo6 octahedra and faces with eight equivalent SnCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3InC by Materials Project

Ce3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Ce–In bond lengths are 3.53 Å. Both Ce–C bond lengths are 2.50 Å. In is bonded to twelve equivalent Ce atoms to form InCe12 cuboctahedra that share corners with twelve equivalent InCe12 cuboctahedra, faces with six equivalent InCe12 cuboctahedra, and faces with eight equivalent CCe6 octahedra. C is bonded to six equivalent Ce atoms to form CCe6 octahedra that share corners with six equivalent CCe6 octahedra and faces with eight equivalent InCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3PbC by Materials Project

Y3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Y–Pb bond lengths are 3.48 Å. Both Y–C bond lengths are 2.46 Å. Pb is bonded to twelve equivalent Y atoms to form PbY12 cuboctahedra that share corners with twelve equivalent PbY12 cuboctahedra, faces with six equivalent PbY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent PbY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VRu3C by Materials Project

VCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Ru atoms to form VRu12 cuboctahedra that share corners with twelve equivalent VRu12 cuboctahedra, faces with six equivalent VRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All V–Ru bond lengths are 2.83 Å. Ru is bonded in a distorted linear geometry to four equivalent V and two equivalent C atoms. Both Ru–C bond lengths are 2.00 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent VRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaRu3C by Materials Project

TaCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to twelve equivalent Ru atoms to form TaRu12 cuboctahedra that share corners with twelve equivalent TaRu12 cuboctahedra, faces with six equivalent TaRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ta–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Ta and two equivalent C atoms. Both Ru–C bond lengths are 2.03 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent TaRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbRu3C by Materials Project

NbCRu3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ru atoms to form NbRu12 cuboctahedra that share corners with twelve equivalent NbRu12 cuboctahedra, faces with six equivalent NbRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Nb–Ru bond lengths are 2.87 Å. Ru is bonded in a distorted linear geometry to four equivalent Nb and two equivalent C atoms. Both Ru–C bond lengths are 2.03 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent NbRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3PbC by Materials Project

Tm3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted linear geometry to four equivalent Pb and two equivalent C atoms. All Tm–Pb bond lengths are 3.42 Å. Both Tm–C bond lengths are 2.42 Å. Pb is bonded to twelve equivalent Tm atoms to form PbTm12 cuboctahedra that share corners with twelve equivalent PbTm12 cuboctahedra, faces with six equivalent PbTm12 cuboctahedra, and faces with eight equivalent CTm6 octahedra. C is bonded to six equivalent Tm atoms to form CTm6 octahedra that share corners with six equivalent CTm6 octahedra and faces with eight equivalent PbTm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlFe3C by Materials Project

Fe3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Fe–Al bond lengths are 2.66 Å. Both Fe–C bond lengths are 1.88 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent CFe6 octahedra. C is bonded to six equivalent Fe atoms to form CFe6 octahedra that share corners with six equivalent CFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaBiO3 by Materials Project

BiGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.95 Å. Bi3+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Bi–O bond lengths are 2.75 Å. O2- is bonded in a distorted linear geometry to two equivalent Ga3+ and four equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3BrO by Materials Project

K3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both K–O bond lengths are 2.64 Å. All K–Br bond lengths are 3.73 Å. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent BrK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent K1+ atoms to form BrK12 cuboctahedra that share corners with twelve equivalent BrK12 cuboctahedra, faces with six equivalent BrK12 cuboctahedra, and faces with eight equivalent OK6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3BrO by Materials Project

Li3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Li–O bond lengths are 2.00 Å. All Li–Br bond lengths are 2.83 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent BrLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Li1+ atoms to form BrLi12 cuboctahedra that share corners with twelve equivalent BrLi12 cuboctahedra, faces with six equivalent BrLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3ClO by Materials Project

Na3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Na–O bond lengths are 2.27 Å. All Na–Cl bond lengths are 3.21 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent ClNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Na1+ atoms to form ClNa12 cuboctahedra that share corners with twelve equivalent ClNa12 cuboctahedra, faces with six equivalent ClNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3SnO by Materials Project

Ca3SnO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Sn and two equivalent O atoms. All Ca–Sn bond lengths are 3.43 Å. Both Ca–O bond lengths are 2.43 Å. Sn is bonded to twelve equivalent Ca atoms to form SnCa12 cuboctahedra that share corners with twelve equivalent SnCa12 cuboctahedra, faces with six equivalent SnCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent SnCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3PbO by Materials Project

Ba3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ba–Pb bond lengths are 3.93 Å. Both Ba–O bond lengths are 2.78 Å. Pb is bonded to twelve equivalent Ba atoms to form PbBa12 cuboctahedra that share corners with twelve equivalent PbBa12 cuboctahedra, faces with six equivalent PbBa12 cuboctahedra, and faces with eight equivalent OBa6 octahedra. O is bonded to six equivalent Ba atoms to form OBa6 octahedra that share corners with six equivalent OBa6 octahedra and faces with eight equivalent PbBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗