cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310662
title: Materials Data on Zn3Pd by Materials Project

description: PdZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Zn atoms to form PdZn12 cuboctahedra that share corners with four equivalent PdZn12 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with eight equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and eight longer (2.79 Å) Pd–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Pd and eight Zn atoms to form distorted ZnZn8Pd4 cuboctahedra that share corners with twelve equivalent ZnZn8Pd4 cuboctahedra, edges with eight equivalent PdZn12 cuboctahedra, edges with eight equivalent ZnZn8Pd4 cuboctahedra, faces with four equivalent PdZn12 cuboctahedra, and faces with ten equivalent ZnZn8Pd4 cuboctahedra. There are four shorter (2.66 Å) and four longer (2.79 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Pd and eight equivalent Zn atoms.
DOI: 10.17188/1310663
title: Materials Data on DySnRu2 by Materials Project

description: DyRu2Sn 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 Ru and six equivalent Sn atoms. All Dy–Ru bond lengths are 2.86 Å. All Dy–Sn bond lengths are 3.31 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sn atoms. All Ru–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Dy and eight equivalent Ru atoms.
DOI: 10.17188/1310664
title: Materials Data on Tm2MgIn by Materials Project

description: MgTm2In 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 Tm atoms. All Mg–Tm bond lengths are 3.22 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Tm–In bond lengths are 3.22 Å. In is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310665
title: Materials Data on Tm2MgIr by Materials Project

description: MgTm2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Tm and six equivalent Ir atoms. All Mg–Tm bond lengths are 3.04 Å. All Mg–Ir bond lengths are 3.51 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ir atoms. All Tm–Ir bond lengths are 3.04 Å. Ir is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Tm atoms.
DOI: 10.17188/1310666
title: Materials Data on Tm2MgOs by Materials Project

description: MgTm2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Tm and six equivalent Os atoms. All Mg–Tm bond lengths are 3.02 Å. All Mg–Os bond lengths are 3.49 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Os atoms. All Tm–Os bond lengths are 3.02 Å. Os is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Tm atoms.
DOI: 10.17188/1310667
title: Materials Data on Zn3Ir by Materials Project

description: IrZn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Zn atoms to form IrZn12 cuboctahedra that share corners with four equivalent IrZn12 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with eight equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and eight longer (2.76 Å) Ir–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Ir and eight Zn atoms to form distorted ZnZn8Ir4 cuboctahedra that share corners with twelve equivalent ZnZn8Ir4 cuboctahedra, edges with eight equivalent IrZn12 cuboctahedra, edges with eight equivalent ZnZn8Ir4 cuboctahedra, faces with four equivalent IrZn12 cuboctahedra, and faces with ten equivalent ZnZn8Ir4 cuboctahedra. There are four shorter (2.64 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to four equivalent Ir and eight equivalent Zn atoms.
DOI: 10.17188/1310668
title: Materials Data on Tm2MgRu by Materials Project

description: MgTm2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Tm and six equivalent Ru atoms. All Mg–Tm bond lengths are 3.04 Å. All Mg–Ru bond lengths are 3.51 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ru atoms. All Tm–Ru bond lengths are 3.04 Å. Ru is bonded in a body-centered cubic geometry to six equivalent Mg and eight equivalent Tm atoms.
DOI: 10.17188/1310669
title: Materials Data on DyTaRu2 by Materials Project

description: DyTaRu2 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 Ru atoms. All Dy–Ru bond lengths are 2.84 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Ta atoms.
DOI: 10.17188/1310670
title: Materials Data on Tm2NiIr by Materials Project

description: Tm2IrNi 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 four equivalent Ir and four equivalent Ni atoms. All Tm–Ir bond lengths are 2.90 Å. All Tm–Ni bond lengths are 2.90 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310671
title: Materials Data on YbCd3 by Materials Project

description: YbCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Yb–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Yb and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdYb4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Cd atoms.
DOI: 10.17188/1310672
title: Materials Data on Tm2NiRu by Materials Project

description: Tm2RuNi 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 four equivalent Ru and four equivalent Ni atoms. All Tm–Ru bond lengths are 2.90 Å. All Tm–Ni bond lengths are 2.90 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310673
title: Materials Data on Tm2NiOs by Materials Project

description: Tm2OsNi 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 four equivalent Os and four equivalent Ni atoms. All Tm–Os bond lengths are 2.89 Å. All Tm–Ni bond lengths are 2.89 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310674
title: Materials Data on Tm2OsAu by Materials Project

description: Tm2OsAu 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 four equivalent Os and four equivalent Au atoms. All Tm–Os bond lengths are 2.99 Å. All Tm–Au bond lengths are 2.99 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310675
title: Materials Data on YCo by Materials Project

description: YCo crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three YCo sheets oriented in the (0, 0, 1) direction. Y is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are three shorter (2.87 Å) and three longer (2.89 Å) Y–Co bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Co atoms. All Co–Co bond lengths are 2.26 Å.
DOI: 10.17188/1310676
title: Materials Data on Tm2OsPd by Materials Project

description: Tm2OsPd 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 four equivalent Os and four equivalent Pd atoms. All Tm–Os bond lengths are 2.95 Å. All Tm–Pd bond lengths are 2.95 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310677
title: Materials Data on Tm2OsRh by Materials Project

description: Tm2OsRh 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 four equivalent Os and four equivalent Rh atoms. All Tm–Os bond lengths are 2.92 Å. All Tm–Rh bond lengths are 2.92 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310678
title: Materials Data on YMg3 by Materials Project

description: YMg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Y atoms. All Mg–Mg bond lengths are 3.17 Å. All Mg–Y bond lengths are 3.17 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Y atoms. All Mg–Y bond lengths are 3.66 Å. Y is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1310679
title: Materials Data on Th3Au4 by Materials Project

description: Th3Au4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to nine Au atoms. There are a spread of Th–Au bond distances ranging from 3.03–3.42 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the second Au site, Au is bonded to six equivalent Th atoms to form distorted face-sharing AuTh6 octahedra. In the third Au site, Au is bonded in a 7-coordinate geometry to seven equivalent Th and three equivalent Au atoms. There are one shorter (3.04 Å) and two longer (3.18 Å) Au–Au bond lengths.
DOI: 10.17188/1310680
title: Materials Data on LuSnRh2 by Materials Project

description: LuRh2Sn 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 Rh and six equivalent Sn atoms. All Lu–Rh bond lengths are 2.85 Å. All Lu–Sn bond lengths are 3.29 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.85 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Rh atoms.
DOI: 10.17188/1310681
title: Materials Data on LuSnRu2 by Materials Project

description: LuRu2Sn 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 Ru and six equivalent Sn atoms. All Lu–Ru bond lengths are 2.84 Å. All Lu–Sn bond lengths are 3.27 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sn atoms. All Ru–Sn bond lengths are 2.84 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Ru atoms.
DOI: 10.17188/1310682
title: Materials Data on Tm2PdPt by Materials Project

description: Tm2PtPd 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 four equivalent Pt and four equivalent Pd atoms. All Tm–Pt bond lengths are 2.99 Å. All Tm–Pd bond lengths are 2.99 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310683
title: Materials Data on Tm2IrRu by Materials Project

description: Tm2RuIr 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 four equivalent Ru and four equivalent Ir atoms. All Tm–Ru bond lengths are 2.92 Å. All Tm–Ir bond lengths are 2.92 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310684
title: Materials Data on V3Ru by Materials Project

description: V3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to four equivalent V and four equivalent Ru atoms to form a mixture of distorted face, edge, and corner-sharing VV4Ru4 tetrahedra. All V–V bond lengths are 2.59 Å. All V–Ru bond lengths are 2.59 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Ru atoms. All V–Ru bond lengths are 2.99 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen V atoms.
DOI: 10.17188/1310685
title: Materials Data on Tm2OsRu by Materials Project

description: Tm2OsRu 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 four equivalent Os and four equivalent Ru atoms. All Tm–Os bond lengths are 2.91 Å. All Tm–Ru bond lengths are 2.91 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310686
title: Materials Data on Tm2PdRu by Materials Project

description: Tm2RuPd 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 four equivalent Ru and four equivalent Pd atoms. All Tm–Ru bond lengths are 2.95 Å. All Tm–Pd bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310687
title: Materials Data on V3Re by Materials Project

description: V3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Re atoms. All V–V bond lengths are 2.61 Å. All V–Re bond lengths are 2.61 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Re atoms. All V–Re bond lengths are 3.01 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen V atoms.
DOI: 10.17188/1310688
title: Materials Data on GdGa3 by Materials Project

description: GdGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Ga atoms to form a mixture of distorted corner and face-sharing GdGa12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.17 Å) Gd–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Gd and six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.81 Å) Ga–Ga bond lengths.
DOI: 10.17188/1310689
title: Materials Data on Ac2ZnIr by Materials Project

description: Ac2IrZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Zn atoms. All Ac–Ir bond lengths are 3.29 Å. All Ac–Zn bond lengths are 3.29 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1310690
title: Materials Data on PrSiRu by Materials Project

description: PrRuSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Si atoms. All Pr–Ru bond lengths are 3.10 Å. There are four shorter (3.18 Å) and one longer (3.61 Å) Pr–Si bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Si atoms. All Ru–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ru atoms.
DOI: 10.17188/1310691
title: Materials Data on ThPt3 by Materials Project

description: ThPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve Pt atoms to form ThPt12 cuboctahedra that share corners with six equivalent ThPt12 cuboctahedra, corners with twelve PtTh4Pt8 cuboctahedra, edges with eighteen PtTh4Pt8 cuboctahedra, faces with eight equivalent ThPt12 cuboctahedra, and faces with twelve PtTh4Pt8 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.08 Å) Th–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Th and eight Pt atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent ThPt12 cuboctahedra, corners with fourteen PtTh4Pt8 cuboctahedra, edges with six equivalent ThPt12 cuboctahedra, edges with twelve PtTh4Pt8 cuboctahedra, faces with four equivalent ThPt12 cuboctahedra, and faces with sixteen PtTh4Pt8 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.85–3.08 Å. In the second Pt site, Pt is bonded to four equivalent Th and eight Pt atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent ThPt12 cuboctahedra, corners with fourteen PtTh4Pt8 cuboctahedra, edges with six equivalent ThPt12 cuboctahedra, edges with twelve PtTh4Pt8 cuboctahedra, faces with four equivalent ThPt12 cuboctahedra, and faces with sixteen PtTh4Pt8 cuboctahedra. All Pt–Pt bond lengths are 3.00 Å. In the third Pt site, Pt is bonded to four equivalent Th and eight Pt atoms to form distorted PtTh4Pt8 cuboctahedra that share corners with four equivalent ThPt12 cuboctahedra, corners with fourteen PtTh4Pt8 cuboctahedra, edges with six equivalent ThPt12 cuboctahedra, edges with twelve PtTh4Pt8 cuboctahedra, faces with four equivalent ThPt12 cuboctahedra, and faces with sixteen PtTh4Pt8 cuboctahedra.
DOI: 10.17188/1310692
title: Materials Data on Tm2ZnTc by Materials Project

description: Tm2TcZn 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 four equivalent Tc and four equivalent Zn atoms. All Tm–Tc bond lengths are 2.98 Å. All Tm–Zn bond lengths are 2.98 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1310693
title: Materials Data on TmAlCu by Materials Project

description: TmCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.88 Å) and one longer (2.90 Å) Tm–Cu bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Tm–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Al atoms. All Cu–Al bond lengths are 2.57 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Al atoms. All Cu–Al bond lengths are 2.73 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tm, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.88 Å.
DOI: 10.17188/1310694
title: Materials Data on Tm2MgGe2 by Materials Project

description: Tm2MgGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent Ge atoms. All Mg–Ge bond lengths are 2.85 Å. Tm is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (2.91 Å) and four longer (3.04 Å) Tm–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Tm, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1310695
title: Materials Data on Tm3ReB7 by Materials Project

description: Tm3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.61–2.72 Å. In the second Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.62–3.28 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are six shorter (2.32 Å) and four longer (2.34 Å) Re–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Tm3+, two equivalent Re6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.77 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tm3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.98 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tm3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.83 Å) and one longer (1.85 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Re6+, and three B+2.14- atoms. The B–B bond length is 1.86 Å.
DOI: 10.17188/1310705
title: Materials Data on Lu2ZnAu by Materials Project

description: Lu2AuZn 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 four equivalent Au and four equivalent Zn atoms. All Lu–Au bond lengths are 3.04 Å. All Lu–Zn bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.