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At least 1,045 records · Page 58
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DOE OSTI2020

Materials Data on Dy3AlN by Materials Project

Dy3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Dy–Al bond lengths are 3.38 Å. Both Dy–N bond lengths are 2.39 Å. Al is bonded to twelve equivalent Dy atoms to form AlDy12 cuboctahedra that share corners with twelve equivalent AlDy12 cuboctahedra, faces with six equivalent AlDy12 cuboctahedra, and faces with eight equivalent NDy6 octahedra. N is bonded to six equivalent Dy atoms to form NDy6 octahedra that share corners with six equivalent NDy6 octahedra and faces with eight equivalent AlDy12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3AlN by Materials Project

Ho3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ho–Al bond lengths are 3.35 Å. Both Ho–N bond lengths are 2.37 Å. Al is bonded to twelve equivalent Ho atoms to form AlHo12 cuboctahedra that share corners with twelve equivalent AlHo12 cuboctahedra, faces with six equivalent AlHo12 cuboctahedra, and faces with eight equivalent NHo6 octahedra. N is bonded to six equivalent Ho atoms to form NHo6 octahedra that share corners with six equivalent NHo6 octahedra and faces with eight equivalent AlHo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3AlN by Materials Project

Tm3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Tm–Al bond lengths are 3.31 Å. Both Tm–N bond lengths are 2.34 Å. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with twelve equivalent AlTm12 cuboctahedra, faces with six equivalent AlTm12 cuboctahedra, and faces with eight equivalent NTm6 octahedra. N is bonded to six equivalent Tm atoms to form NTm6 octahedra that share corners with six equivalent NTm6 octahedra and faces with eight equivalent AlTm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3CoN by Materials Project

CoFe3N 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 Co and two equivalent N atoms. All Fe–Co bond lengths are 2.60 Å. Both Fe–N bond lengths are 1.84 Å. Co is bonded to twelve equivalent Fe atoms to form CoFe12 cuboctahedra that share corners with twelve equivalent CoFe12 cuboctahedra, faces with six equivalent CoFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent CoFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbPbCl3 by Materials Project

RbPbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent PbCl6 octahedra. All Rb–Cl bond lengths are 4.05 Å. Pb2+ is bonded to six equivalent Cl1- atoms to form PbCl6 octahedra that share corners with six equivalent PbCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Cl bond lengths are 2.86 Å. Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCaCl3 by Materials Project

KCaCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with eight equivalent CaCl6 octahedra. All K–Cl bond lengths are 3.81 Å. Ca2+ is bonded to six equivalent Cl1- atoms to form CaCl6 octahedra that share corners with six equivalent CaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to four equivalent K1+ and two equivalent Ca2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3InC by Materials Project

Lu3InC 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 In and two equivalent C atoms. All Lu–In bond lengths are 3.39 Å. Both Lu–C bond lengths are 2.39 Å. In is bonded to twelve equivalent Lu atoms to form InLu12 cuboctahedra that share corners with twelve equivalent InLu12 cuboctahedra, faces with six equivalent InLu12 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 InLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3AlC by Materials Project

Lu3AlC 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 Al and two equivalent C atoms. All Lu–Al bond lengths are 3.36 Å. Both Lu–C bond lengths are 2.37 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 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 AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaNi3C by Materials Project

GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3AlO by Materials Project

La3AlO 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 O atoms. All La–Al bond lengths are 3.56 Å. Both La–O bond lengths are 2.52 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 OLa6 octahedra. O is bonded to six equivalent La atoms to form OLa6 octahedra that share corners with six equivalent OLa6 octahedra and faces with eight equivalent AlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3TlC by Materials Project

Gd3TlC 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 Tl and two equivalent C atoms. All Gd–Tl bond lengths are 3.53 Å. Both Gd–C bond lengths are 2.50 Å. Tl is bonded to twelve equivalent Gd atoms to form TlGd12 cuboctahedra that share corners with twelve equivalent TlGd12 cuboctahedra, faces with six equivalent TlGd12 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 TlGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbEuCl3 by Materials Project

RbEuCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent EuCl6 octahedra. All Rb–Cl bond lengths are 4.00 Å. Eu2+ is bonded to six equivalent Cl1- atoms to form EuCl6 octahedra that share corners with six equivalent EuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–Cl bond lengths are 2.83 Å. Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Eu2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3AlC by Materials Project

Yb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Yb–Al bond lengths are 3.56 Å. Both Yb–C bond lengths are 2.52 Å. Al is bonded to twelve equivalent Yb atoms to form AlYb12 cuboctahedra that share corners with twelve equivalent AlYb12 cuboctahedra, faces with six equivalent AlYb12 cuboctahedra, and faces with eight equivalent CYb6 octahedra. C is bonded to six equivalent Yb atoms to form CYb6 octahedra that share corners with six equivalent CYb6 octahedra and faces with eight equivalent AlYb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAlO3 by Materials Project

LiAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Li–O bond lengths are 2.62 Å. Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.85 Å. O is bonded in a linear geometry to four equivalent Li and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3AlN by Materials Project

Mn3AlN 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 Al and two equivalent N atoms. All Mn–Al bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.88 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 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 AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3GaC by Materials Project

Lu3GaC 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 Ga and two equivalent C atoms. All Lu–Ga bond lengths are 3.34 Å. Both Lu–C bond lengths are 2.36 Å. Ga is bonded to twelve equivalent Lu atoms to form GaLu12 cuboctahedra that share corners with twelve equivalent GaLu12 cuboctahedra, faces with six equivalent GaLu12 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 GaLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSrCl3 by Materials Project

RbSrCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent SrCl6 octahedra. All Rb–Cl bond lengths are 4.03 Å. Sr2+ is bonded to six equivalent Cl1- atoms to form SrCl6 octahedra that share corners with six equivalent SrCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–Cl bond lengths are 2.85 Å. Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgBiO3 by Materials Project

MgBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.97 Å. Bi is bonded to twelve equivalent O atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Bi–O bond lengths are 2.78 Å. O is bonded in a linear geometry to two equivalent Mg and four equivalent Bi atoms.

36 MATERIALS SCIENCE↗