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At least 1,027 records · Page 57
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DOE OSTI2020

Materials Data on Nd3AlC by Materials Project

Nd3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Nd–Al bond lengths are 3.61 Å. Both Nd–C bond lengths are 2.55 Å. Al is bonded to twelve equivalent Nd atoms to form AlNd12 cuboctahedra that share corners with twelve equivalent AlNd12 cuboctahedra, faces with six equivalent AlNd12 cuboctahedra, and faces with eight equivalent CNd6 octahedra. C is bonded to six equivalent Nd atoms to form CNd6 octahedra that share corners with six equivalent CNd6 octahedra and faces with eight equivalent AlNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3AlC by Materials Project

Gd3AlC 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 Al and two equivalent C atoms. All Gd–Al bond lengths are 3.49 Å. Both Gd–C bond lengths are 2.47 Å. Al is bonded to twelve equivalent Gd atoms to form AlGd12 cuboctahedra that share corners with twelve equivalent AlGd12 cuboctahedra, faces with six equivalent AlGd12 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 AlGd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaCdO3 by Materials Project

NaCdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent O atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent CdO6 octahedra. All Na–O bond lengths are 3.01 Å. Cd is bonded to six equivalent O atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.13 Å. O is bonded in a linear geometry to four equivalent Na and two equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3TlC by Materials Project

La3TlC 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 Tl and two equivalent C atoms. All La–Tl bond lengths are 3.71 Å. Both La–C bond lengths are 2.62 Å. Tl is bonded to twelve equivalent La atoms to form TlLa12 cuboctahedra that share corners with twelve equivalent TlLa12 cuboctahedra, faces with six equivalent TlLa12 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 TlLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3AlC by Materials Project

Sm3AlC 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 C atoms. All Sm–Al bond lengths are 3.55 Å. Both Sm–C bond lengths are 2.51 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 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 AlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3ClO by Materials Project

Rb3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Rb–O bond lengths are 2.77 Å. All Rb–Cl bond lengths are 3.91 Å. O2- is bonded to six equivalent Rb1+ atoms to form ORb6 octahedra that share corners with six equivalent ORb6 octahedra and faces with eight equivalent ClRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Rb1+ atoms to form ClRb12 cuboctahedra that share corners with twelve equivalent ClRb12 cuboctahedra, faces with six equivalent ClRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni3GeC by Materials Project

Ni3GeC 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 Ge and two equivalent C atoms. All Ni–Ge bond lengths are 2.69 Å. Both Ni–C bond lengths are 1.90 Å. Ge is bonded to twelve equivalent Ni atoms to form GeNi12 cuboctahedra that share corners with twelve equivalent GeNi12 cuboctahedra, faces with six equivalent GeNi12 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 GeNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3GaC by Materials Project

Sc3GaC 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 Ga and two equivalent C atoms. All Sc–Ga bond lengths are 3.17 Å. Both Sc–C bond lengths are 2.24 Å. Ga is bonded to twelve equivalent Sc atoms to form GaSc12 cuboctahedra that share corners with twelve equivalent GaSc12 cuboctahedra, faces with six equivalent GaSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent GaSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3InC by Materials Project

Sc3InC 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 In and two equivalent C atoms. All Sc–In bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3AuO by Materials Project

K3AuO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a linear geometry to four equivalent Au1- and two equivalent O2- atoms. All K–Au bond lengths are 3.76 Å. Both K–O bond lengths are 2.66 Å. Au1- is bonded to twelve equivalent K1+ atoms to form AuK12 cuboctahedra that share corners with twelve equivalent AuK12 cuboctahedra, faces with six equivalent AuK12 cuboctahedra, and faces with eight equivalent OK6 octahedra. 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 AuK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBaO3 by Materials Project

RbBaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent BaO6 octahedra. All Rb–O bond lengths are 3.53 Å. Ba is bonded to six equivalent O atoms to form BaO6 octahedra that share corners with six equivalent BaO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.50 Å. O is bonded in a linear geometry to four equivalent Rb and two equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnAlO3 by Materials Project

MnAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent AlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.88 Å. Al3+ is bonded to twelve equivalent O2- atoms to form AlO12 cuboctahedra that share corners with twelve equivalent AlO12 cuboctahedra, faces with six equivalent AlO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Al–O bond lengths are 2.66 Å. O2- is bonded in a linear geometry to two equivalent Mn3+ and four equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3AsN by Materials Project

AsNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Sr–As bond lengths are 3.62 Å. Both Sr–N bond lengths are 2.56 Å. As3- is bonded to twelve equivalent Sr2+ atoms to form AsSr12 cuboctahedra that share corners with twelve equivalent AsSr12 cuboctahedra, faces with six equivalent AsSr12 cuboctahedra, and faces with eight equivalent NSr6 octahedra. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent NSr6 octahedra and faces with eight equivalent AsSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3BiAs by Materials Project

Sr3BiAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent Bi and two equivalent As atoms. All Sr–Bi bond lengths are 4.16 Å. Both Sr–As bond lengths are 2.94 Å. Bi is bonded to twelve equivalent Sr atoms to form BiSr12 cuboctahedra that share corners with twelve equivalent BiSr12 cuboctahedra, faces with six equivalent BiSr12 cuboctahedra, and faces with eight equivalent AsSr6 octahedra. As is bonded to six equivalent Sr atoms to form AsSr6 octahedra that share corners with six equivalent AsSr6 octahedra and faces with eight equivalent BiSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3BiP by Materials Project

Sr3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Sr–Bi bond lengths are 4.08 Å. Both Sr–P bond lengths are 2.89 Å. Bi is bonded to twelve equivalent Sr atoms to form BiSr12 cuboctahedra that share corners with twelve equivalent BiSr12 cuboctahedra, faces with six equivalent BiSr12 cuboctahedra, and faces with eight equivalent PSr6 octahedra. P is bonded to six equivalent Sr atoms to form PSr6 octahedra that share corners with six equivalent PSr6 octahedra and faces with eight equivalent BiSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrCdO3 by Materials Project

CdZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.08 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 ZrO6 octahedra. All Cd–O bond lengths are 2.94 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3AlN by Materials Project

Lu3AlN 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 N atoms. All Lu–Al bond lengths are 3.28 Å. Both Lu–N bond lengths are 2.32 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 NLu6 octahedra. N is bonded to six equivalent Lu atoms to form NLu6 octahedra that share corners with six equivalent NLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3AlN by Materials Project

Er3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Er–Al bond lengths are 3.33 Å. Both Er–N bond lengths are 2.36 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent NEr6 octahedra. N is bonded to six equivalent Er atoms to form NEr6 octahedra that share corners with six equivalent NEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗