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At least 739 records · Page 41
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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 Sr3SbP by Materials Project

Sr3SbP 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 Sb3- and two equivalent P3- atoms. All Sr–Sb bond lengths are 4.06 Å. Both Sr–P bond lengths are 2.87 Å. Sb3- is bonded to twelve equivalent Sr2+ atoms to form SbSr12 cuboctahedra that share corners with twelve equivalent SbSr12 cuboctahedra, faces with six equivalent SbSr12 cuboctahedra, and faces with eight equivalent PSr6 octahedra. P3- is bonded to six equivalent Sr2+ atoms to form PSr6 octahedra that share corners with six equivalent PSr6 octahedra and faces with eight equivalent SbSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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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 Ba3BiP by Materials Project

Ba3BiP 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 Bi and two equivalent P atoms. All Ba–Bi bond lengths are 4.34 Å. Both Ba–P bond lengths are 3.07 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent PBa6 octahedra. P is bonded to six equivalent Ba atoms to form PBa6 octahedra that share corners with six equivalent PBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3AsN by Materials Project

AsNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Ba–As bond lengths are 3.88 Å. Both Ba–N bond lengths are 2.74 Å. As3- is bonded to twelve equivalent Ba2+ atoms to form AsBa12 cuboctahedra that share corners with twelve equivalent AsBa12 cuboctahedra, faces with six equivalent AsBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent AsBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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↗
DOE OSTI2020

Materials Data on Ni3SnN by Materials Project

SnNNi3 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 Sn and two equivalent N atoms. All Ni–Sn bond lengths are 2.76 Å. Both Ni–N bond lengths are 1.95 Å. Sn is bonded to twelve equivalent Ni atoms to form SnNi12 cuboctahedra that share corners with twelve equivalent SnNi12 cuboctahedra, faces with six equivalent SnNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent SnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuNi3N by Materials Project

CuNNi3 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 Cu and two equivalent N atoms. All Ni–Cu bond lengths are 2.64 Å. Both Ni–N bond lengths are 1.86 Å. Cu is bonded to twelve equivalent Ni atoms to form CuNi12 cuboctahedra that share corners with twelve equivalent CuNi12 cuboctahedra, faces with six equivalent CuNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent CuNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdNi3N by Materials Project

CdNNi3 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 Cd and two equivalent N atoms. All Ni–Cd bond lengths are 2.72 Å. Both Ni–N bond lengths are 1.92 Å. Cd is bonded to twelve equivalent Ni atoms to form CdNi12 cuboctahedra that share corners with twelve equivalent CdNi12 cuboctahedra, faces with six equivalent CdNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent CdNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdCo3N by Materials Project

CdNCo3 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 Cd and two equivalent N atoms. All Co–Cd bond lengths are 2.73 Å. Both Co–N bond lengths are 1.93 Å. Cd is bonded to twelve equivalent Co atoms to form CdCo12 cuboctahedra that share corners with twelve equivalent CdCo12 cuboctahedra, faces with six equivalent CdCo12 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 CdCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
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 SbXeF7 by Materials Project

XeSbF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four XeSbF7 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (1.99 Å) and one longer (2.27 Å) Xe–F bond lengths. Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.07 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3SnN by Materials Project

Nd3SnN 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 Sn and two equivalent N atoms. All Nd–Sn bond lengths are 3.55 Å. Both Nd–N bond lengths are 2.51 Å. Sn is bonded to twelve equivalent Nd atoms to form SnNd12 cuboctahedra that share corners with twelve equivalent SnNd12 cuboctahedra, faces with six equivalent SnNd12 cuboctahedra, and faces with eight equivalent NNd6 octahedra. N is bonded to six equivalent Nd atoms to form NNd6 octahedra that share corners with six equivalent NNd6 octahedra and faces with eight equivalent SnNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3SbN by Materials Project

SbNMg3 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 Sb3- and two equivalent N3- atoms. All Mg–Sb bond lengths are 3.10 Å. Both Mg–N bond lengths are 2.19 Å. Sb3- is bonded to twelve equivalent Mg2+ atoms to form SbMg12 cuboctahedra that share corners with twelve equivalent SbMg12 cuboctahedra, faces with six equivalent SbMg12 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 SbMg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗