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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm3AlN by Materials Project

Sm3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Sm–Al bond lengths are 3.48 Å. Both Sm–N bond lengths are 2.46 Å. Al is bonded to twelve equivalent Sm atoms to form AlSm12 cuboctahedra that share corners with twelve equivalent AlSm12 cuboctahedra, faces with six equivalent AlSm12 cuboctahedra, and faces with eight equivalent NSm6 octahedra. N is bonded to six equivalent Sm atoms to form NSm6 octahedra that share corners with six equivalent NSm6 octahedra and faces with eight equivalent AlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3SnC by Materials Project

La3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All La–Sn bond lengths are 3.69 Å. Both La–C bond lengths are 2.61 Å. Sn is bonded to twelve equivalent La atoms to form SnLa12 cuboctahedra that share corners with twelve equivalent SnLa12 cuboctahedra, faces with six equivalent SnLa12 cuboctahedra, and faces with eight equivalent CLa6 octahedra. C is bonded to six equivalent La atoms to form CLa6 octahedra that share corners with six equivalent CLa6 octahedra and faces with eight equivalent SnLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3AuN by Materials Project

Mn3AuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Au and two equivalent N atoms. All Mn–Au bond lengths are 2.70 Å. Both Mn–N bond lengths are 1.91 Å. Au is bonded to twelve equivalent Mn atoms to form AuMn12 cuboctahedra that share corners with twelve equivalent AuMn12 cuboctahedra, faces with six equivalent AuMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AuMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCo3C by Materials Project

MnCo3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Co atoms to form MnCo12 cuboctahedra that share corners with twelve equivalent MnCo12 cuboctahedra, faces with six equivalent MnCo12 cuboctahedra, and faces with eight equivalent CCo6 octahedra. All Mn–Co bond lengths are 2.65 Å. Co is bonded in a linear geometry to four equivalent Mn and two equivalent C atoms. Both Co–C bond lengths are 1.88 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 MnCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3SnC by Materials Project

Gd3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Gd–Sn bond lengths are 3.50 Å. Both Gd–C bond lengths are 2.48 Å. Sn is bonded to twelve equivalent Gd atoms to form SnGd12 cuboctahedra that share corners with twelve equivalent SnGd12 cuboctahedra, faces with six equivalent SnGd12 cuboctahedra, and faces with eight equivalent CGd6 octahedra. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent CGd6 octahedra and faces with eight equivalent SnGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3AsN by Materials Project

AsNMg3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Mg–As bond lengths are 3.00 Å. Both Mg–N bond lengths are 2.12 Å. As3- is bonded to twelve equivalent Mg2+ atoms to form AsMg12 cuboctahedra that share corners with twelve equivalent AsMg12 cuboctahedra, faces with six equivalent AsMg12 cuboctahedra, and faces with eight equivalent NMg6 octahedra. N3- is bonded to six equivalent Mg2+ atoms to form NMg6 octahedra that share corners with six equivalent NMg6 octahedra and faces with eight equivalent AsMg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCdO3 by Materials Project

LiCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.88 Å. Cd is bonded to twelve equivalent O atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Cd–O bond lengths are 2.66 Å. O is bonded in a linear geometry to two equivalent Li and four equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbAuO3 by Materials Project

AuSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au3+ is bonded to twelve equivalent O2- atoms to form AuO12 cuboctahedra that share corners with twelve equivalent AuO12 cuboctahedra, faces with six equivalent AuO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Au–O bond lengths are 2.83 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent AuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.00 Å. O2- is bonded in a linear geometry to four equivalent Au3+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KInI3 by Materials Project

KInI3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one InI3 framework. In the InI3 framework, there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to six equivalent I1- atoms to form corner-sharing InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.19 Å. In the second In2+ site, In2+ is bonded to six equivalent I1- atoms to form corner-sharing InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.98 Å. I1- is bonded in a linear geometry to two In2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InCo3N by Materials Project

InNCo3 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 In and two equivalent N atoms. All Co–In bond lengths are 2.72 Å. Both Co–N bond lengths are 1.93 Å. In is bonded to twelve equivalent Co atoms to form InCo12 cuboctahedra that share corners with twelve equivalent InCo12 cuboctahedra, faces with six equivalent InCo12 cuboctahedra, and faces with eight equivalent NCo6 octahedra. N is bonded to six equivalent Co atoms to form NCo6 octahedra that share corners with six equivalent NCo6 octahedra and faces with eight equivalent InCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3AlN by Materials Project

Pr3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Pr–Al bond lengths are 3.57 Å. Both Pr–N bond lengths are 2.52 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent NPr6 octahedra. N is bonded to six equivalent Pr atoms to form NPr6 octahedra that share corners with six equivalent NPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeAsO3 by Materials Project

FeAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe3+ is bonded to twelve equivalent O2- atoms to form FeO12 cuboctahedra that share corners with twelve equivalent FeO12 cuboctahedra, faces with six equivalent FeO12 cuboctahedra, and faces with eight equivalent AsO6 octahedra. All Fe–O bond lengths are 2.69 Å. As3+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent FeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to four equivalent Fe3+ and two equivalent As3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3InC by Materials Project

Mn3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent In and two equivalent C atoms. All Mn–In bond lengths are 2.79 Å. Both Mn–C bond lengths are 1.97 Å. In is bonded to twelve equivalent Mn atoms to form InMn12 cuboctahedra that share corners with twelve equivalent InMn12 cuboctahedra, faces with six equivalent InMn12 cuboctahedra, and faces with eight equivalent CMn6 octahedra. C is bonded to six equivalent Mn atoms to form CMn6 octahedra that share corners with six equivalent CMn6 octahedra and faces with eight equivalent InMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3AlC by Materials Project

Ce3AlC 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 Al and two equivalent C atoms. All Ce–Al bond lengths are 3.49 Å. Both Ce–C bond lengths are 2.47 Å. Al is bonded to twelve equivalent Ce atoms to form AlCe12 cuboctahedra that share corners with twelve equivalent AlCe12 cuboctahedra, faces with six equivalent AlCe12 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 AlCe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlCo3C by Materials Project

Co3AlC 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 Al and two equivalent C atoms. All Co–Al bond lengths are 2.63 Å. Both Co–C bond lengths are 1.86 Å. Al is bonded to twelve equivalent Co atoms to form AlCo12 cuboctahedra that share corners with twelve equivalent AlCo12 cuboctahedra, faces with six equivalent AlCo12 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 AlCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3BPb by Materials Project

PbBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Pb atoms. Both Sc–B bond lengths are 2.34 Å. All Sc–Pb bond lengths are 3.32 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3SnB by Materials Project

SnBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Sn atoms. Both Sc–B bond lengths are 2.33 Å. All Sc–Sn bond lengths are 3.29 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCdF3 by Materials Project

KCdF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent CdF6 octahedra. All K–F bond lengths are 3.16 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent CdF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–F bond lengths are 2.24 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗