cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309492
title: Materials Data on BeRu2W by Materials Project

description: BeWRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a distorted body-centered cubic geometry to six equivalent W and eight equivalent Ru atoms. All Be–W bond lengths are 3.00 Å. All Be–Ru bond lengths are 2.59 Å. W is bonded in a 8-coordinate geometry to six equivalent Be and eight equivalent Ru atoms. All W–Ru bond lengths are 2.59 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent W atoms.
DOI: 10.17188/1309493
title: Materials Data on ScSnRh2 by Materials Project

description: ScRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.80 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309494
title: Materials Data on ScRh2Pb by Materials Project

description: ScRh2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Rh and six equivalent Pb atoms. All Sc–Rh bond lengths are 2.84 Å. All Sc–Pb bond lengths are 3.28 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.84 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Rh atoms.
DOI: 10.17188/1309495
title: Materials Data on ReRu3 by Materials Project

description: ReRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve equivalent Ru atoms to form ReRu12 cuboctahedra that share corners with six equivalent ReRu12 cuboctahedra, corners with twelve equivalent RuRe4Ru8 cuboctahedra, edges with eighteen equivalent RuRe4Ru8 cuboctahedra, faces with eight equivalent ReRu12 cuboctahedra, and faces with twelve equivalent RuRe4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Re–Ru bond lengths. Ru is bonded to four equivalent Re and eight equivalent Ru atoms to form distorted RuRe4Ru8 cuboctahedra that share corners with four equivalent ReRu12 cuboctahedra, corners with fourteen equivalent RuRe4Ru8 cuboctahedra, edges with six equivalent ReRu12 cuboctahedra, edges with twelve equivalent RuRe4Ru8 cuboctahedra, faces with four equivalent ReRu12 cuboctahedra, and faces with sixteen equivalent RuRe4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.69–2.76 Å.
DOI: 10.17188/1309496
title: Materials Data on Ba2SbAu by Materials Project

description: Ba2AuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent Sb3- atoms. All Ba–Au bond lengths are 3.60 Å. All Ba–Sb bond lengths are 3.60 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Ba2+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Ba2+ atoms.
DOI: 10.17188/1309497
title: Materials Data on LiCa2Al by Materials Project

description: LiCa2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. All Li–Ca bond lengths are 3.29 Å. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Ca–Al bond lengths are 3.29 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1309498
title: Materials Data on ScSbRh2 by Materials Project

description: ScRh2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Sb atoms. All Sc–Rh bond lengths are 2.80 Å. All Sc–Sb bond lengths are 3.24 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.80 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Rh atoms.
DOI: 10.17188/1309499
title: Materials Data on LaGaAu2 by Materials Project

description: LaAu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.09 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Ga atoms. All Au–Ga bond lengths are 3.09 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309500
title: Materials Data on Ru3W by Materials Project

description: WRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Ru atoms to form WRu12 cuboctahedra that share corners with six equivalent WRu12 cuboctahedra, corners with twelve equivalent RuRu8W4 cuboctahedra, edges with eighteen equivalent RuRu8W4 cuboctahedra, faces with eight equivalent WRu12 cuboctahedra, and faces with twelve equivalent RuRu8W4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) W–Ru bond lengths. Ru is bonded to four equivalent W and eight equivalent Ru atoms to form RuRu8W4 cuboctahedra that share corners with four equivalent WRu12 cuboctahedra, corners with fourteen equivalent RuRu8W4 cuboctahedra, edges with six equivalent WRu12 cuboctahedra, edges with twelve equivalent RuRu8W4 cuboctahedra, faces with four equivalent WRu12 cuboctahedra, and faces with sixteen equivalent RuRu8W4 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.76 Å) Ru–Ru bond lengths.
DOI: 10.17188/1309501
title: Materials Data on ErAl3 by Materials Project

description: Al3Er crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to twelve Al atoms to form ErAl12 cuboctahedra that share corners with six equivalent ErAl12 cuboctahedra, corners with twelve equivalent AlEr4Al8 cuboctahedra, edges with six equivalent AlEr4Al8 cuboctahedra, faces with six equivalent AlEr4Al8 cuboctahedra, and faces with eight ErAl12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.06 Å) Er–Al bond lengths. In the second Er site, Er is bonded to twelve Al atoms to form ErAl12 cuboctahedra that share corners with six equivalent AlEr4Al8 cuboctahedra, corners with nine ErAl12 cuboctahedra, edges with twelve equivalent AlEr4Al8 cuboctahedra, faces with seven ErAl12 cuboctahedra, and faces with nine equivalent AlEr4Al8 cuboctahedra. There are a spread of Er–Al bond distances ranging from 3.01–3.03 Å. In the third Er site, Er is bonded to twelve Al atoms to form ErAl12 cuboctahedra that share corners with twelve ErAl12 cuboctahedra, edges with fifteen AlEr4Al8 cuboctahedra, faces with six ErAl12 cuboctahedra, and faces with six AlEr4Al8 cuboctahedra. There are a spread of Er–Al bond distances ranging from 2.97–3.04 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four Er and eight Al atoms to form distorted AlEr4Al8 cuboctahedra that share corners with two equivalent ErAl12 cuboctahedra, corners with ten AlEr4Al8 cuboctahedra, edges with seven ErAl12 cuboctahedra, edges with eight equivalent AlEr4Al8 cuboctahedra, faces with four ErAl12 cuboctahedra, and faces with ten AlEr4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.94–3.06 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to four Er and six Al atoms. There are two shorter (2.73 Å) and two longer (2.91 Å) Al–Al bond lengths. In the third Al site, Al is bonded to four Er and eight Al atoms to form distorted AlEr4Al8 cuboctahedra that share corners with four equivalent ErAl12 cuboctahedra, corners with fourteen AlEr4Al8 cuboctahedra, edges with four equivalent AlEr4Al8 cuboctahedra, edges with six ErAl12 cuboctahedra, faces with four ErAl12 cuboctahedra, and faces with six AlEr4Al8 cuboctahedra. All Al–Al bond lengths are 3.03 Å.
DOI: 10.17188/1309502
title: Materials Data on LiCuPd2 by Materials Project

description: LiPd2Cu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Cu atoms. All Li–Pd bond lengths are 2.61 Å. All Li–Cu bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cu atoms. All Pd–Cu bond lengths are 2.61 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Pd atoms.
DOI: 10.17188/1309503
title: Materials Data on LiCu3 by Materials Project

description: LiCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Cu atoms to form LiCu12 cuboctahedra that share corners with four equivalent LiCu12 cuboctahedra, edges with eight equivalent LiCu12 cuboctahedra, edges with sixteen equivalent CuLi4Cu8 cuboctahedra, faces with four equivalent LiCu12 cuboctahedra, and faces with eight equivalent CuLi4Cu8 cuboctahedra. There are four shorter (2.53 Å) and eight longer (2.57 Å) Li–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Li and eight Cu atoms to form distorted CuLi4Cu8 cuboctahedra that share corners with twelve equivalent CuLi4Cu8 cuboctahedra, edges with eight equivalent LiCu12 cuboctahedra, edges with eight equivalent CuLi4Cu8 cuboctahedra, faces with four equivalent LiCu12 cuboctahedra, and faces with ten equivalent CuLi4Cu8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.57 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent Cu atoms.
DOI: 10.17188/1309504
title: Materials Data on LiEr2Rh by Materials Project

description: LiEr2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Er atoms. All Li–Er bond lengths are 3.00 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Er–Rh bond lengths are 3.00 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309505
title: Materials Data on LiEr2Ru by Materials Project

description: LiEr2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Er atoms. All Li–Er bond lengths are 2.98 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Er–Ru bond lengths are 2.98 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309506
title: Materials Data on LaMgZn2 by Materials Project

description: MgLaZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mg–Zn bond lengths are 3.06 Å. La is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All La–Zn bond lengths are 3.06 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent La atoms.
DOI: 10.17188/1309507
title: Materials Data on LaPbAu2 by Materials Project

description: LaAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All La–Au bond lengths are 3.19 Å. All La–Pb bond lengths are 3.68 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Pb atoms. All Au–Pb bond lengths are 3.19 Å. Pb is bonded in a 8-coordinate geometry to six equivalent La and eight equivalent Au atoms.
DOI: 10.17188/1309508
title: Materials Data on Rb2Zr2O5 by Materials Project

description: Rb2Zr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight equivalent O2- atoms to form distorted RbO8 hexagonal bipyramids that share corners with eight equivalent RbO12 cuboctahedra, edges with four equivalent RbO8 hexagonal bipyramids, edges with eight equivalent ZrO5 square pyramids, and faces with two equivalent RbO12 cuboctahedra. All Rb–O bond lengths are 2.96 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, corners with eight equivalent RbO8 hexagonal bipyramids, faces with four equivalent RbO12 cuboctahedra, faces with two equivalent RbO8 hexagonal bipyramids, and faces with eight equivalent ZrO5 square pyramids. There are four shorter (2.91 Å) and eight longer (3.21 Å) Rb–O bond lengths. Zr4+ is bonded to five O2- atoms to form distorted ZrO5 square pyramids that share corners with five equivalent ZrO5 square pyramids, edges with four equivalent RbO8 hexagonal bipyramids, and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.05 Å) and four longer (2.10 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing ORb4Zr2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1309509
title: Materials Data on AcGe3 by Materials Project

description: AcGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Ge atoms to form a mixture of distorted corner and face-sharing AcGe12 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.36 Å) Ac–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to four equivalent Ac and six equivalent Ge atoms. There are two shorter (2.73 Å) and four longer (2.94 Å) Ge–Ge bond lengths.
DOI: 10.17188/1309510
title: Materials Data on DyGaRh2 by Materials Project

description: DyRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Dy–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.80 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309511
title: Materials Data on LiAc2Ge by Materials Project

description: LiAc2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. All Li–Ac bond lengths are 3.39 Å. Ac is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Ac–Ge bond lengths are 3.39 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309512
title: Materials Data on CeHg3 by Materials Project

description: CeHg3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded to twelve Hg atoms to form a mixture of face and corner-sharing CeHg12 cuboctahedra. There are a spread of Ce–Hg bond distances ranging from 3.23–3.44 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Ce atoms. In the second Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Ce atoms.
DOI: 10.17188/1309513
title: Materials Data on BeFe2Si by Materials Project

description: BeFe2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Be–Fe bond lengths are 2.34 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Si atoms. All Fe–Si bond lengths are 2.34 Å. Si is bonded in a distorted body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1309514
title: Materials Data on Sr3Co(CN)3 by Materials Project

description: Sr3Co(CN)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to four equivalent N3- atoms. There are a spread of Sr–N bond distances ranging from 2.56–3.00 Å. Co1+ is bonded in a trigonal planar geometry to three equivalent C+0.67+ atoms. All Co–C bond lengths are 1.76 Å. C+0.67+ is bonded in a distorted linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.25 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Sr2+ and one C+0.67+ atom.
DOI: 10.17188/1309515
title: Materials Data on ThF4 by Materials Project

description: ThF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 10-coordinate geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.29–2.47 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.30–2.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Th4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three Th4+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Th4+ atoms.
DOI: 10.17188/1309516
title: Materials Data on LiY2Rh by Materials Project

description: LiY2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Li–Y bond lengths are 3.04 Å. Y is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Y–Rh bond lengths are 3.04 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1309517
title: Materials Data on LiY2Ru by Materials Project

description: LiY2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Li–Y bond lengths are 3.01 Å. Y is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Y–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1309518
title: Materials Data on LiHoIn2 by Materials Project

description: LiHoIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Li–In bond lengths are 3.15 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ho–In bond lengths are 3.15 Å. In is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ho atoms.
DOI: 10.17188/1309519
title: Materials Data on LiHoTl2 by Materials Project

description: LiHoTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.18 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.18 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ho atoms.
DOI: 10.17188/1309520
title: Materials Data on Sb2H8Pt(OF3)4 by Materials Project

description: PtH8O4(SbF6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one platinum tetrahydrate molecule and two SbF6 clusters. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.94 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1309521
title: Materials Data on TaZn2 by Materials Project

description: TaZn2 is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are seven inequivalent Ta sites. In the first Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. There are one shorter (2.98 Å) and three longer (3.10 Å) Ta–Ta bond lengths. There are a spread of Ta–Zn bond distances ranging from 2.93–2.97 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. There are one shorter (2.98 Å) and three longer (3.10 Å) Ta–Ta bond lengths. There are a spread of Ta–Zn bond distances ranging from 2.93–2.97 Å. In the third Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. All Ta–Ta bond lengths are 3.10 Å. There are a spread of Ta–Zn bond distances ranging from 2.93–2.97 Å. In the fourth Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. There are one shorter (3.06 Å) and three longer (3.10 Å) Ta–Ta bond lengths. There are three shorter (2.94 Å) and nine longer (2.95 Å) Ta–Zn bond lengths. In the fifth Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. The Ta–Ta bond length is 3.06 Å. There are three shorter (2.94 Å) and nine longer (2.95 Å) Ta–Zn bond lengths. In the sixth Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. There are three shorter (2.94 Å) and nine longer (2.95 Å) Ta–Zn bond lengths. In the seventh Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Zn atoms. There are three shorter (2.94 Å) and nine longer (2.95 Å) Ta–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six Ta and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTa6Zn6 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.43–2.62 Å. In the second Zn site, Zn is bonded to six Ta and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTa6Zn6 cuboctahedra. There are four shorter (2.52 Å) and two longer (2.53 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to six Ta and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTa6Zn6 cuboctahedra.