cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316309
title: Materials Data on Zn3Cd by Materials Project

description: CdZn3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cd is bonded to twelve Zn atoms to form CdZn12 cuboctahedra that share corners with four equivalent CdZn12 cuboctahedra, corners with eight equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and eight longer (2.91 Å) Cd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Cd and eight Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with twelve equivalent ZnZn8Cd4 cuboctahedra, edges with eight equivalent CdZn12 cuboctahedra, edges with sixteen ZnZn8Cd4 cuboctahedra, faces with four equivalent CdZn12 cuboctahedra, and faces with fourteen ZnZn8Cd4 cuboctahedra. There are four shorter (2.88 Å) and four longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Cd and eight equivalent Zn atoms to form ZnZn8Cd4 cuboctahedra that share corners with four equivalent ZnZn8Cd4 cuboctahedra, corners with eight equivalent CdZn12 cuboctahedra, edges with twenty-four ZnZn8Cd4 cuboctahedra, faces with six equivalent CdZn12 cuboctahedra, and faces with twelve ZnZn8Cd4 cuboctahedra.
DOI: 10.17188/1316310
title: Materials Data on Yb3In3Ge2Au by Materials Project

description: Yb3AuIn3Ge2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to one Au, six equivalent In, and four equivalent Ge atoms. The Yb–Au bond length is 3.09 Å. There are two shorter (3.31 Å) and four longer (3.50 Å) Yb–In bond lengths. All Yb–Ge bond lengths are 3.15 Å. Au is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent In atoms. All Au–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Yb, two equivalent Au, two equivalent In, and two equivalent Ge atoms. Both In–In bond lengths are 3.22 Å. Both In–Ge bond lengths are 2.82 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent In atoms.
DOI: 10.17188/1316311
title: Materials Data on YTmHg2 by Materials Project

description: TmYHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tm–Hg bond lengths are 3.21 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Y–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.
DOI: 10.17188/1316312
title: Materials Data on ZnIn3 by Materials Project

description: ZnIn3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Zn–In bond distances ranging from 3.12–3.18 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to eight In atoms. There are a spread of Zn–In bond distances ranging from 3.12–3.18 Å. There are six inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to two equivalent Zn and seven In atoms. There are a spread of In–In bond distances ranging from 3.10–3.34 Å. In the second In site, In is bonded in a 4-coordinate geometry to four Zn and six In atoms. There are a spread of In–In bond distances ranging from 3.27–3.32 Å. In the third In site, In is bonded in a 9-coordinate geometry to two equivalent Zn and seven In atoms. There are two shorter (3.24 Å) and two longer (3.28 Å) In–In bond lengths. In the fourth In site, In is bonded in a 9-coordinate geometry to two equivalent Zn and seven In atoms. There are a spread of In–In bond distances ranging from 3.10–3.35 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to four Zn and six In atoms. The In–In bond length is 3.33 Å. In the sixth In site, In is bonded in a 9-coordinate geometry to two equivalent Zn and seven In atoms.
DOI: 10.17188/1316313
title: Materials Data on TmMg2 by Materials Project

description: TmMg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Tm atoms. There are three shorter (3.00 Å) and two longer (3.26 Å) Mg–Mg bond lengths. There are three shorter (3.41 Å) and three longer (3.42 Å) Mg–Tm bond lengths. Tm is bonded in a 12-coordinate geometry to twelve equivalent Mg and two equivalent Tm atoms. Both Tm–Tm bond lengths are 3.26 Å.
DOI: 10.17188/1316314
title: Materials Data on TbSmIr2 by Materials Project

description: TbSmIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 3.01 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.01 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Sm atoms.
DOI: 10.17188/1316315
title: Materials Data on SrMg5 by Materials Project

description: SrMg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sr is bonded in a distorted hexagonal planar geometry to eighteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.57–4.02 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgSr4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Sr and six Mg atoms. Both Mg–Mg bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Sr and six Mg atoms. Both Mg–Mg bond lengths are 3.10 Å. In the fourth Mg site, Mg is bonded to four equivalent Sr and eight Mg atoms to form a mixture of distorted edge, face, and corner-sharing MgSr4Mg8 cuboctahedra.
DOI: 10.17188/1316317
title: Materials Data on Ti3Nb by Materials Project

description: Ti3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to eight Ti and four equivalent Nb atoms to form TiTi8Nb4 cuboctahedra that share corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eight equivalent NbTi12 cuboctahedra, edges with sixteen TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with fourteen TiTi8Nb4 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.99 Å) Ti–Ti bond lengths. All Ti–Nb bond lengths are 2.99 Å. In the second Ti site, Ti is bonded to eight equivalent Ti and four equivalent Nb atoms to form distorted TiTi8Nb4 cuboctahedra that share corners with four equivalent TiTi8Nb4 cuboctahedra, corners with eight equivalent NbTi12 cuboctahedra, edges with twenty-four TiTi8Nb4 cuboctahedra, faces with six equivalent NbTi12 cuboctahedra, and faces with twelve TiTi8Nb4 cuboctahedra. All Ti–Nb bond lengths are 2.80 Å. Nb is bonded to twelve Ti atoms to form NbTi12 cuboctahedra that share corners with four equivalent NbTi12 cuboctahedra, corners with eight equivalent TiTi8Nb4 cuboctahedra, edges with eight equivalent NbTi12 cuboctahedra, edges with sixteen equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with fourteen TiTi8Nb4 cuboctahedra.
DOI: 10.17188/1316318
title: Materials Data on Zn7Sb8Ru9 by Materials Project

description: Ru9Zn7Sb8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in an octahedral geometry to six equivalent Sb atoms. All Ru–Sb bond lengths are 2.71 Å. In the second Ru site, Ru is bonded in a distorted body-centered cubic geometry to four Zn and four Sb atoms. There are one shorter (2.57 Å) and three longer (2.61 Å) Ru–Zn bond lengths. There are one shorter (2.63 Å) and three longer (2.77 Å) Ru–Sb bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Ru and six Sb atoms. There are two shorter (3.00 Å) and four longer (3.02 Å) Zn–Sb bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent Zn atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to five Ru and four equivalent Zn atoms.
DOI: 10.17188/1316319
title: Materials Data on Y3Tm by Materials Project

description: TmY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Y atoms to form TmY12 cuboctahedra that share corners with six equivalent TmY12 cuboctahedra, corners with twelve equivalent YY8Tm4 cuboctahedra, edges with eighteen equivalent YY8Tm4 cuboctahedra, faces with eight equivalent TmY12 cuboctahedra, and faces with twelve equivalent YY8Tm4 cuboctahedra. There are six shorter (3.54 Å) and six longer (3.62 Å) Tm–Y bond lengths. Y is bonded to four equivalent Tm and eight equivalent Y atoms to form YY8Tm4 cuboctahedra that share corners with four equivalent TmY12 cuboctahedra, corners with fourteen equivalent YY8Tm4 cuboctahedra, edges with six equivalent TmY12 cuboctahedra, edges with twelve equivalent YY8Tm4 cuboctahedra, faces with four equivalent TmY12 cuboctahedra, and faces with sixteen equivalent YY8Tm4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.55–3.64 Å.
DOI: 10.17188/1316320
title: Materials Data on SmPuO3 by Materials Project

description: PuSmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent O2- atoms to form PuO6 octahedra that share corners with six equivalent PuO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–O bond lengths are 2.18 Å. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent PuO6 octahedra. All Sm–O bond lengths are 3.08 Å. O2- is bonded in a linear geometry to two equivalent Pu3+ and four equivalent Sm3+ atoms.
DOI: 10.17188/1316321
title: Materials Data on TmTa3 by Materials Project

description: TmTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.42 Å) Tm–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Ta atoms.
DOI: 10.17188/1316322
title: Materials Data on YMg5 by Materials Project

description: Mg5Y crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to seven Mg and three equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.10–3.39 Å. There are two shorter (3.29 Å) and one longer (3.71 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to seven Mg and two equivalent Y atoms. There are two shorter (3.03 Å) and two longer (3.19 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.23 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to eight Mg and two equivalent Y atoms. Both Mg–Y bond lengths are 3.52 Å. Y is bonded in a 8-coordinate geometry to twelve Mg and two equivalent Y atoms. Both Y–Y bond lengths are 3.68 Å.
DOI: 10.17188/1316323
title: Materials Data on YbF by Materials Project

description: YbF is Wurtzite structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four F atoms to form corner-sharing YbF4 tetrahedra. There are one shorter (2.33 Å) and three longer (2.37 Å) Yb–F bond lengths. In the second Yb site, Yb is bonded to four F atoms to form corner-sharing YbF4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) Yb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded to four Yb atoms to form corner-sharing FYb4 tetrahedra. In the second F site, F is bonded to four Yb atoms to form corner-sharing FYb4 tetrahedra.
DOI: 10.17188/1316324
title: Materials Data on WS2 by Materials Project

description: WS2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three WS2 sheets oriented in the (0, 0, 1) direction. W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms.
DOI: 10.17188/1316325
title: Materials Data on Tl3Ge by Materials Project

description: Tl3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tl is bonded in a 2-coordinate geometry to six equivalent Tl and two equivalent Ge atoms. There are two shorter (3.39 Å) and four longer (3.41 Å) Tl–Tl bond lengths. Both Tl–Ge bond lengths are 3.32 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Tl atoms.
DOI: 10.17188/1316326
title: Materials Data on SrTlHg2 by Materials Project

description: SrHg2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent Tl atoms. All Sr–Hg bond lengths are 3.36 Å. All Sr–Tl bond lengths are 3.88 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Tl atoms. All Hg–Tl bond lengths are 3.36 Å. Tl is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.
DOI: 10.17188/1316327
title: Materials Data on ZrCu2Hg by Materials Project

description: ZrCu2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent Hg atoms. All Zr–Cu bond lengths are 2.78 Å. All Zr–Hg bond lengths are 3.21 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Hg atoms. All Cu–Hg bond lengths are 2.78 Å. Hg is bonded in a 8-coordinate geometry to six equivalent Zr and eight equivalent Cu atoms.
DOI: 10.17188/1316328
title: Materials Data on YbLuPd2 by Materials Project

description: LuYbPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Lu–Pd bond lengths are 2.99 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 2.99 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Yb atoms.
DOI: 10.17188/1316329
title: Materials Data on Zn3C by Materials Project

description: Zn3C is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent C atoms to form distorted ZnZn8C4 cuboctahedra that share corners with twelve equivalent ZnZn8C4 cuboctahedra, edges with eight equivalent ZnZn8C4 cuboctahedra, edges with eight equivalent CZn12 cuboctahedra, faces with four equivalent CZn12 cuboctahedra, and faces with ten equivalent ZnZn8C4 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.64 Å) Zn–Zn bond lengths. All Zn–C bond lengths are 2.64 Å. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to eight equivalent Zn and four equivalent C atoms. All Zn–C bond lengths are 2.60 Å. C is bonded to twelve Zn atoms to form CZn12 cuboctahedra that share corners with four equivalent CZn12 cuboctahedra, edges with eight equivalent CZn12 cuboctahedra, edges with sixteen equivalent ZnZn8C4 cuboctahedra, faces with four equivalent CZn12 cuboctahedra, and faces with eight equivalent ZnZn8C4 cuboctahedra.
DOI: 10.17188/1316330
title: Materials Data on Zr(FeGe)6 by Materials Project

description: Zr(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing ZrFe12Ge8 hexagonal bipyramids. All Zr–Fe bond lengths are 3.24 Å. There are two shorter (2.77 Å) and six longer (2.92 Å) Zr–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.53 Å. There are four shorter (2.49 Å) and two longer (2.64 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Zr, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms.
DOI: 10.17188/1316331
title: Materials Data on YbSm3 by Materials Project

description: YbSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Sm atoms to form YbSm12 cuboctahedra that share corners with six equivalent YbSm12 cuboctahedra, corners with twelve equivalent SmYb4Sm8 cuboctahedra, edges with eighteen equivalent SmYb4Sm8 cuboctahedra, faces with eight equivalent YbSm12 cuboctahedra, and faces with twelve equivalent SmYb4Sm8 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.68 Å) Yb–Sm bond lengths. Sm is bonded to four equivalent Yb and eight equivalent Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent YbSm12 cuboctahedra, corners with fourteen equivalent SmYb4Sm8 cuboctahedra, edges with six equivalent YbSm12 cuboctahedra, edges with twelve equivalent SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with sixteen equivalent SmYb4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.62–3.73 Å.
DOI: 10.17188/1316332
title: Materials Data on V2ReRu by Materials Project

description: V2ReRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ru atoms. All V–Re bond lengths are 2.62 Å. All V–Ru bond lengths are 2.62 Å. Re is bonded in a distorted body-centered cubic geometry to eight equivalent V atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1316333
title: Materials Data on Zn3N by Materials Project

description: Zn3N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent N atoms to form a mixture of distorted corner, edge, and face-sharing ZnZn8N4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.71 Å) Zn–Zn bond lengths. All Zn–N bond lengths are 2.71 Å. In the second Zn site, Zn is bonded in a square co-planar geometry to eight equivalent Zn and four equivalent N atoms. All Zn–N bond lengths are 2.49 Å. N is bonded in a square co-planar geometry to twelve Zn atoms.
DOI: 10.17188/1316334
title: Materials Data on HfMg3 by Materials Project

description: Mg3Hf is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hf atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent HfMg12 cuboctahedra, corners with fourteen equivalent MgHf4Mg8 cuboctahedra, edges with six equivalent HfMg12 cuboctahedra, edges with twelve equivalent MgHf4Mg8 cuboctahedra, faces with four equivalent HfMg12 cuboctahedra, and faces with sixteen equivalent MgHf4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.18 Å. There are two shorter (3.10 Å) and two longer (3.16 Å) Mg–Hf bond lengths. Hf is bonded to twelve equivalent Mg atoms to form HfMg12 cuboctahedra that share corners with six equivalent HfMg12 cuboctahedra, corners with twelve equivalent MgHf4Mg8 cuboctahedra, edges with eighteen equivalent MgHf4Mg8 cuboctahedra, faces with eight equivalent HfMg12 cuboctahedra, and faces with twelve equivalent MgHf4Mg8 cuboctahedra.
DOI: 10.17188/1316335
title: Materials Data on V2ReTc by Materials Project

description: V2ReTc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Tc atoms. All V–Re bond lengths are 2.63 Å. All V–Tc bond lengths are 2.63 Å. Re is bonded in a body-centered cubic geometry to eight equivalent V atoms. Tc is bonded in a body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1316336
title: Materials Data on Sr3Yb by Materials Project

description: Sr3Yb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Yb atoms. All Sr–Sr bond lengths are 4.03 Å. All Sr–Yb bond lengths are 4.03 Å. In the second Sr site, Sr is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. Yb is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1316337
title: Materials Data on Zn3CdS4 by Materials Project

description: CdZn3S4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent ZnS4 tetrahedra. All Cd–S bond lengths are 2.54 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent ZnS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. S2- is bonded to one Cd2+ and three equivalent Zn2+ atoms to form corner-sharing SZn3Cd tetrahedra.
DOI: 10.17188/1316338
title: Materials Data on MgHg5 by Materials Project

description: MgHg5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Hg atoms to form a mixture of corner and edge-sharing MgHg12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.35 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.