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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YSiO3 by Materials Project

YSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent O atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Y–O bond lengths are 2.63 Å. Si is bonded to six equivalent O atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.86 Å. O is bonded in a distorted linear geometry to four equivalent Y and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbGaO3 by Materials Project

YbGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Yb–O bond lengths are 2.71 Å. 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 YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySnO3 by Materials Project

DySnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy3+ is bonded to twelve equivalent O2- atoms to form DyO12 cuboctahedra that share corners with twelve equivalent DyO12 cuboctahedra, faces with six equivalent DyO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Dy–O bond lengths are 2.93 Å. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent DyO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.07 Å. O2- is bonded in a distorted linear geometry to four equivalent Dy3+ and two equivalent Sn3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiGdO3 by Materials Project

LiGdO3 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 GdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.85 Å. Gd is bonded to twelve equivalent O atoms to form GdO12 cuboctahedra that share corners with twelve equivalent GdO12 cuboctahedra, faces with six equivalent GdO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Gd–O bond lengths are 2.62 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsPbI3 by Materials Project

CsPbI3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with eight equivalent PbI6 octahedra. All Cs–I bond lengths are 4.54 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent PbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–I bond lengths are 3.21 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsNpO3 by Materials Project

CsNpO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent NpO6 octahedra. All Cs–O bond lengths are 3.10 Å. Np5+ is bonded to six equivalent O2- atoms to form NpO6 octahedra that share corners with six equivalent NpO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Np–O bond lengths are 2.20 Å. O2- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Np5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3AlC by Materials Project

Pr3AlC 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 C atoms. All Pr–Al bond lengths are 3.63 Å. Both Pr–C bond lengths are 2.57 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 CPr6 octahedra. C is bonded to six equivalent Pr atoms to form CPr6 octahedra that share corners with six equivalent CPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3TlB by Materials Project

Sc3TlB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent B atoms. All Sc–Tl bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.35 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. 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 TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3ZnC by Materials Project

Mg3ZnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Mg–Zn bond lengths are 3.12 Å. Both Mg–C bond lengths are 2.20 Å. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with twelve equivalent ZnMg12 cuboctahedra, faces with six equivalent ZnMg12 cuboctahedra, and faces with eight equivalent CMg6 octahedra. C is bonded to six equivalent Mg atoms to form CMg6 octahedra that share corners with six equivalent CMg6 octahedra and faces with eight equivalent ZnMg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnFe3C by Materials Project

ZnCFe3 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 Zn and two equivalent C atoms. All Fe–Zn bond lengths are 2.67 Å. Both Fe–C bond lengths are 1.89 Å. Zn is bonded to twelve equivalent Fe atoms to form ZnFe12 cuboctahedra that share corners with twelve equivalent ZnFe12 cuboctahedra, faces with six equivalent ZnFe12 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 ZnFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnCo3C by Materials Project

Co3ZnC 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 Zn and two equivalent C atoms. All Co–Zn bond lengths are 2.64 Å. Both Co–C bond lengths are 1.87 Å. Zn is bonded to twelve equivalent Co atoms to form ZnCo12 cuboctahedra that share corners with twelve equivalent ZnCo12 cuboctahedra, faces with six equivalent ZnCo12 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 ZnCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3AlC by Materials Project

La3AlC 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 Al and two equivalent C atoms. All La–Al bond lengths are 3.68 Å. Both La–C bond lengths are 2.60 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, faces with six equivalent AlLa12 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 AlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3GaC by Materials Project

Y3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Y–Ga bond lengths are 3.44 Å. Both Y–C bond lengths are 2.44 Å. Ga is bonded to twelve equivalent Y atoms to form GaY12 cuboctahedra that share corners with twelve equivalent GaY12 cuboctahedra, faces with six equivalent GaY12 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 GaY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3GaC by Materials Project

Sm3GaC 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 Ga and two equivalent C atoms. All Sm–Ga bond lengths are 3.54 Å. Both Sm–C bond lengths are 2.50 Å. Ga is bonded to twelve equivalent Sm atoms to form GaSm12 cuboctahedra that share corners with twelve equivalent GaSm12 cuboctahedra, faces with six equivalent GaSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent GaSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3TlC by Materials Project

Sm3TlC 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 Tl and two equivalent C atoms. All Sm–Tl bond lengths are 3.58 Å. Both Sm–C bond lengths are 2.53 Å. Tl is bonded to twelve equivalent Sm atoms to form TlSm12 cuboctahedra that share corners with twelve equivalent TlSm12 cuboctahedra, faces with six equivalent TlSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent TlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3TlC by Materials Project

Lu3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Lu–Tl bond lengths are 3.38 Å. Both Lu–C bond lengths are 2.39 Å. Tl is bonded to twelve equivalent Lu atoms to form TlLu12 cuboctahedra that share corners with twelve equivalent TlLu12 cuboctahedra, faces with six equivalent TlLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent TlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3SnC by Materials Project

Y3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Y–Sn bond lengths are 3.46 Å. Both Y–C bond lengths are 2.45 Å. Sn is bonded to twelve equivalent Y atoms to form SnY12 cuboctahedra that share corners with twelve equivalent SnY12 cuboctahedra, faces with six equivalent SnY12 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 SnY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3SnC by Materials Project

Lu3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Lu–Sn bond lengths are 3.36 Å. Both Lu–C bond lengths are 2.38 Å. Sn is bonded to twelve equivalent Lu atoms to form SnLu12 cuboctahedra that share corners with twelve equivalent SnLu12 cuboctahedra, faces with six equivalent SnLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent SnLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗