cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315640
title: Materials Data on GdMgNi4 by Materials Project

description: GdNi4Mg is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Ni atoms. All Mg–Gd bond lengths are 3.04 Å. All Mg–Ni bond lengths are 2.90 Å. Gd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Gd–Ni bond lengths are 2.91 Å. Ni is bonded to three equivalent Mg, three equivalent Gd, and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiGd3Mg3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.50 Å) Ni–Ni bond lengths.
DOI: 10.17188/1315641
title: Materials Data on Ta2VRu by Materials Project

description: Ta2VRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ru atoms. All Ta–V bond lengths are 2.74 Å. All Ta–Ru bond lengths are 2.74 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Ta and six equivalent Ru atoms. All V–Ru bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ta and six equivalent V atoms.
DOI: 10.17188/1315642
title: Materials Data on ZnPd2Au by Materials Project

description: Pd2AuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Zn atoms. All Pd–Au bond lengths are 2.74 Å. All Pd–Zn bond lengths are 2.74 Å. Au is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Zn atoms. All Au–Zn bond lengths are 3.17 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Au atoms.
DOI: 10.17188/1315643
title: Materials Data on ZnSiRh2 by Materials Project

description: Rh2ZnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Si atoms. All Rh–Zn bond lengths are 2.59 Å. All Rh–Si bond lengths are 2.59 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1315644
title: Materials Data on NpH3 by Materials Project

description: NpH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np3+ is bonded to twelve H1- atoms to form a mixture of edge, face, and corner-sharing NpH12 cuboctahedra. There are eight shorter (2.29 Å) and four longer (2.38 Å) Np–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Np3+ atoms to form a mixture of distorted edge and corner-sharing HNp4 tetrahedra. In the second H1- site, H1- is bonded in a square co-planar geometry to four equivalent Np3+ atoms.
DOI: 10.17188/1315645
title: Materials Data on LiLu2Tc by Materials Project

description: LiLu2Tc 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 Lu atoms. All Li–Lu bond lengths are 2.97 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Lu–Tc bond lengths are 2.97 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1315646
title: Materials Data on TbAgHg2 by Materials Project

description: TbAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Tb–Ag bond lengths are 3.56 Å. All Tb–Hg bond lengths are 3.09 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Tb and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Ag atoms.
DOI: 10.17188/1315647
title: Materials Data on HoMgSn by Materials Project

description: MgHoSn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Mg–Sn bond lengths are 3.08 Å. Ho is bonded to five equivalent Sn atoms to form a mixture of distorted corner and edge-sharing HoSn5 square pyramids. There are one shorter (3.12 Å) and four longer (3.14 Å) Ho–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Ho atoms.
DOI: 10.17188/1315649
title: Materials Data on Ta3Ru by Materials Project

description: Ta3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Ru atoms to form a mixture of distorted edge, corner, and face-sharing TaTa4Ru4 tetrahedra. All Ta–Ta bond lengths are 2.80 Å. All Ta–Ru bond lengths are 2.80 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ru atoms. All Ta–Ru bond lengths are 3.24 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.
DOI: 10.17188/1315650
title: Materials Data on LiNd2Os by Materials Project

description: LiNd2Os 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 Nd atoms. All Li–Nd bond lengths are 3.10 Å. Nd is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Nd–Os bond lengths are 3.10 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1315651
title: Materials Data on LiLu2Ru by Materials Project

description: LiLu2Ru 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 Lu atoms. All Li–Lu bond lengths are 2.94 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Lu–Ru bond lengths are 2.94 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1315652
title: Materials Data on YbFeB4 by Materials Project

description: YbFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.56–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.20–2.25 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.79 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.85 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Fe3+, and three B+1.50- atoms. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Fe3+, and three B+1.50- atoms. The B–B bond length is 1.69 Å.
DOI: 10.17188/1315653
title: Materials Data on TbMgRh2 by Materials Project

description: MgTbRh2 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 Rh atoms. All Mg–Rh bond lengths are 2.86 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Tb–Rh bond lengths are 2.86 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tb atoms.
DOI: 10.17188/1315654
title: Materials Data on TbCdPd2 by Materials Project

description: TbPd2Cd 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 Pd atoms. All Tb–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.95 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1315655
title: Materials Data on TbCdAg2 by Materials Project

description: TbAg2Cd 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 Ag and six equivalent Cd atoms. All Tb–Ag bond lengths are 3.04 Å. All Tb–Cd bond lengths are 3.52 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Cd atoms. All Ag–Cd bond lengths are 3.04 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Tb and eight equivalent Ag atoms.
DOI: 10.17188/1315656
title: Materials Data on Ba4Sb2O by Materials Project

description: Ba4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing BaSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–19°. There are one shorter (3.53 Å) and four longer (3.82 Å) Ba–Sb bond lengths. The Ba–O bond length is 3.16 Å. In the second Ba2+ site, Ba2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Ba–Sb bond lengths are 3.68 Å. Both Ba–O bond lengths are 2.67 Å. Sb3- is bonded in a 9-coordinate geometry to nine Ba2+ atoms. O2- is bonded to six Ba2+ atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1315657
title: Materials Data on ErInRh2 by Materials Project

description: ErRh2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Er–Rh bond lengths are 2.87 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Rh–In bond lengths are 2.87 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1315710
title: Materials Data on Ho2MgIn by Materials Project

description: MgHo2In 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 Ho atoms. All Mg–Ho bond lengths are 3.24 Å. Ho is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Ho–In bond lengths are 3.24 Å. In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1315711
title: Materials Data on NbGaRu2 by Materials Project

description: NbRu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Ga atoms. All Ru–Ga bond lengths are 2.69 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1315712
title: Materials Data on NpInRh2 by Materials Project

description: NpRh2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Np–Rh bond lengths are 2.88 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Np and four equivalent In atoms. All Rh–In bond lengths are 2.88 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1315713
title: Materials Data on Na3Tl by Materials Project

description: Na3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eight equivalent NaNa8Tl4 cuboctahedra, edges with eight equivalent TlNa12 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with ten equivalent NaNa8Tl4 cuboctahedra. There are four shorter (3.46 Å) and four longer (3.54 Å) Na–Na bond lengths. All Na–Tl bond lengths are 3.54 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent Tl atoms. All Na–Tl bond lengths are 3.46 Å. Tl is bonded to twelve Na atoms to form TlNa12 cuboctahedra that share corners with four equivalent TlNa12 cuboctahedra, edges with eight equivalent TlNa12 cuboctahedra, edges with sixteen equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with eight equivalent NaNa8Tl4 cuboctahedra.
DOI: 10.17188/1315714
title: Materials Data on Nd2AgIr by Materials Project

description: Nd2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Nd–Ir bond lengths are 3.15 Å. All Nd–Ag bond lengths are 3.15 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1315715
title: Materials Data on LiLu2Rh by Materials Project

description: LiLu2Rh 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 Lu atoms. All Li–Lu bond lengths are 2.96 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Lu–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1315716
title: Materials Data on Ho2AlOs by Materials Project

description: Ho2OsAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Al atoms. All Ho–Os bond lengths are 3.02 Å. All Ho–Al bond lengths are 3.02 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1315717
title: Materials Data on Hf2ReRh by Materials Project

description: Hf2ReRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Rh atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Rh bond lengths are 2.83 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1315718
title: Materials Data on NbTlO3 by Materials Project

description: TlNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.05 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. All Tl–O bond lengths are 2.91 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1315719
title: Materials Data on NbTc2Ge by Materials Project

description: NbTc2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.71 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Nb2+ and four equivalent Ge4+ atoms. All Tc–Ge bond lengths are 2.71 Å. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms.
DOI: 10.17188/1315720
title: Materials Data on NbGaFe2 by Materials Project

description: Fe2NbGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All Nb–Fe bond lengths are 2.57 Å. All Nb–Ga bond lengths are 2.97 Å. Fe is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.57 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Nb and eight equivalent Fe atoms.
DOI: 10.17188/1315721
title: Materials Data on NpSnAu2 by Materials Project

description: NpAu2Sn is Heusler structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Np–Au bond lengths are 3.08 Å. Au is bonded in a body-centered cubic geometry to four equivalent Np and four equivalent Sn atoms. All Au–Sn bond lengths are 3.08 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315722
title: Materials Data on HoCdHg2 by Materials Project

description: HoHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ho–Hg bond lengths are 3.12 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.12 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1315723
title: Materials Data on ZnCu2SiS4 by Materials Project

description: Cu2ZnSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent ZnS4 tetrahedra, and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.32 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.34–2.39 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.15–2.17 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Zn2+, and one Si4+ atom to form corner-sharing SZnCu2Si tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Zn2+, and one Si4+ atom to form corner-sharing SZnCu2Si tetrahedra. In the third S2- site, S2- is bonded to two equivalent Cu1+, one Zn2+, and one Si4+ atom to form corner-sharing SZnCu2Si tetrahedra.
DOI: 10.17188/1315724
title: Materials Data on HoCdAu2 by Materials Project

description: HoAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ho–Au bond lengths are 3.02 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Cd atoms. All Au–Cd bond lengths are 3.02 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315725
title: Materials Data on Er2AgIr by Materials Project

description: Er2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Er–Ir bond lengths are 3.02 Å. All Er–Ag bond lengths are 3.02 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1315726
title: Materials Data on NdB2HF10 by Materials Project

description: NdB2HF10 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.24–2.59 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.37–1.44 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.48 Å) H–F bond length. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one B3+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nd3+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Nd3+ and one B3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Nd3+ and one H1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Nd3+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Nd3+ and one B3+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to two equivalent Nd3+ atoms.
DOI: 10.17188/1315727
title: Materials Data on LiMgAu2 by Materials Project

description: LiMgAu2 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 Au atoms. All Li–Au bond lengths are 2.80 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Mg–Au bond lengths are 2.80 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms.
DOI: 10.17188/1315728
title: Materials Data on TbGaRh2 by Materials Project

description: TbRh2Ga 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 Rh atoms. All Tb–Rh bond lengths are 2.81 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.81 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.