cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315768
title: Materials Data on Zr2OsRu by Materials Project

description: Zr2OsRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ru atoms. All Zr–Os bond lengths are 2.85 Å. All Zr–Ru bond lengths are 2.85 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1315769
title: Materials Data on ZrScOs2 by Materials Project

description: ScZrOs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms. All Sc–Os bond lengths are 2.82 Å. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent Os2- atoms. All Zr–Os bond lengths are 2.82 Å. Os2- is bonded in a body-centered cubic geometry to four equivalent Sc2+ and four equivalent Zr2+ atoms.
DOI: 10.17188/1315770
title: Materials Data on ErLuMg2 by Materials Project

description: Mg2LuEr 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 four equivalent Lu and four equivalent Er atoms. All Mg–Lu bond lengths are 3.25 Å. All Mg–Er bond lengths are 3.25 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Er is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315771
title: Materials Data on Be3Tc by Materials Project

description: Be3Tc is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to eight equivalent Be and four equivalent Tc atoms to form BeBe8Tc4 cuboctahedra that share corners with twelve equivalent BeBe8Tc4 cuboctahedra, edges with eight equivalent TcBe12 cuboctahedra, edges with sixteen equivalent BeBe8Tc4 cuboctahedra, faces with four equivalent TcBe12 cuboctahedra, and faces with fourteen equivalent BeBe8Tc4 cuboctahedra. All Be–Be bond lengths are 2.39 Å. All Be–Tc bond lengths are 2.39 Å. Tc is bonded to twelve equivalent Be atoms to form TcBe12 cuboctahedra that share corners with twelve equivalent TcBe12 cuboctahedra, edges with twenty-four equivalent BeBe8Tc4 cuboctahedra, faces with six equivalent TcBe12 cuboctahedra, and faces with twelve equivalent BeBe8Tc4 cuboctahedra.
DOI: 10.17188/1315772
title: Materials Data on Yb2PtAu by Materials Project

description: Yb2PtAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Au atoms. All Yb–Pt bond lengths are 3.04 Å. All Yb–Au bond lengths are 3.04 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1315773
title: Materials Data on MgScAg2 by Materials Project

description: MgScAg2 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 Ag atoms. All Mg–Ag bond lengths are 2.93 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Sc–Ag bond lengths are 2.93 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sc atoms.
DOI: 10.17188/1315774
title: Materials Data on MgNbRh2 by Materials Project

description: MgNbRh2 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 2.74 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Nb–Rh bond lengths are 2.74 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Nb atoms.
DOI: 10.17188/1315775
title: Materials Data on MgScCd2 by Materials Project

description: MgScCd2 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 Cd atoms. All Mg–Cd bond lengths are 3.03 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Sc–Cd bond lengths are 3.03 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sc atoms.
DOI: 10.17188/1315776
title: Materials Data on NdCdPd2 by Materials Project

description: NdPd2Cd 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 eight equivalent Pd atoms. All Nd–Pd bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Cd atoms. All Pd–Cd bond lengths are 3.01 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1315777
title: Materials Data on MgPaRu2 by Materials Project

description: MgPaRu2 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 Ru atoms. All Mg–Ru bond lengths are 2.85 Å. Pa is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pa–Ru bond lengths are 2.85 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pa atoms.
DOI: 10.17188/1315778
title: Materials Data on Dy2MgGe2 by Materials Project

description: MgDy2Ge2 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 2.88 Å. Dy is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (2.95 Å) and four longer (3.07 Å) Dy–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Dy, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1315779
title: Materials Data on LiTaIr2 by Materials Project

description: LiTaIr2 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 Ir atoms. All Li–Ir bond lengths are 2.67 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ta–Ir bond lengths are 2.67 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ta atoms.
DOI: 10.17188/1315780
title: Materials Data on NdCdAu2 by Materials Project

description: NdAu2Cd 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 eight equivalent Au atoms. All Nd–Au bond lengths are 3.09 Å. Au is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Cd atoms. All Au–Cd bond lengths are 3.09 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315781
title: Materials Data on LiNbIr2 by Materials Project

description: LiNbIr2 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 Ir atoms. All Li–Ir bond lengths are 2.67 Å. Nb is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All Nb–Ir bond lengths are 2.67 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Nb atoms.
DOI: 10.17188/1315782
title: Materials Data on MgScHg2 by Materials Project

description: MgScHg2 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 Hg atoms. All Mg–Hg bond lengths are 3.02 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sc–Hg bond lengths are 3.02 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sc atoms.
DOI: 10.17188/1315783
title: Materials Data on NdBiAu2 by Materials Project

description: NdAu2Bi 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 eight equivalent Au atoms. All Nd–Au bond lengths are 3.17 Å. Au is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Bi atoms. All Au–Bi bond lengths are 3.17 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315784
title: Materials Data on MgScPd2 by Materials Project

description: MgScPd2 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 Pd atoms. All Mg–Pd bond lengths are 2.82 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.82 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sc atoms.
DOI: 10.17188/1315785
title: Materials Data on Hf2ReCu by Materials Project

description: Hf2ReCu 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 Cu atoms. All Hf–Re bond lengths are 2.83 Å. All Hf–Cu bond lengths are 2.83 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1315786
title: Materials Data on ZrSnPd2 by Materials Project

description: Pd2ZrSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Zr–Pd bond lengths are 2.88 Å. All Zr–Sn bond lengths are 3.32 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.88 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Zr and eight equivalent Pd atoms.
DOI: 10.17188/1315787
title: Materials Data on NaH6CN2ClO2 by Materials Project

description: NaCN2H6O2Cl crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NaCN2H6O2Cl sheets oriented in the (1, 0, 0) direction. Na1+ is bonded to four O2- and two equivalent Cl1- atoms to form distorted face-sharing NaCl2O4 octahedra. There are a spread of Na–O bond distances ranging from 2.34–2.46 Å. There are one shorter (2.88 Å) and one longer (2.95 Å) Na–Cl bond lengths. C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.35 Å) and one longer (1.36 Å) C–N bond length. The C–O bond length is 1.27 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 0.99 Å. The H–Cl bond length is 2.15 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one C4+ atom. Cl1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one H1+ atom.
DOI: 10.17188/1315788
title: Materials Data on LiPr2Os by Materials Project

description: LiPr2Os 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 Pr atoms. All Li–Pr bond lengths are 3.12 Å. Pr is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Pr–Os bond lengths are 3.12 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1315789
title: Materials Data on MgRh2Pb by Materials Project

description: MgRh2Pb 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 Rh and six equivalent Pb atoms. All Mg–Rh bond lengths are 2.80 Å. All Mg–Pb bond lengths are 3.24 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.80 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Rh atoms.
DOI: 10.17188/1315790
title: Materials Data on Hf2MnRh by Materials Project

description: Hf2MnRh 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 Mn and four equivalent Rh atoms. All Hf–Mn bond lengths are 2.78 Å. All Hf–Rh bond lengths are 2.78 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Hf and six equivalent Rh atoms. All Mn–Rh bond lengths are 3.21 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf and six equivalent Mn atoms.
DOI: 10.17188/1315791
title: Materials Data on HfH3 by Materials Project

description: HfH3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent H atoms to form a mixture of corner and face-sharing HfH12 cuboctahedra. All Hf–H bond lengths are 2.18 Å. H is bonded in a square co-planar geometry to four equivalent Hf atoms.
DOI: 10.17188/1315792
title: Materials Data on NdZnAu2 by Materials Project

description: NdAu2Zn 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 eight equivalent Au atoms. All Nd–Au bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Zn atoms. All Au–Zn bond lengths are 3.04 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315793
title: Materials Data on Zr2TcPd by Materials Project

description: Zr2TcPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Pd atoms. All Zr–Tc bond lengths are 2.88 Å. All Zr–Pd bond lengths are 2.88 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1315794
title: Materials Data on MgSbPd2 by Materials Project

description: MgPd2Sb 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 Pd and six equivalent Sb atoms. All Mg–Pd bond lengths are 2.84 Å. All Mg–Sb bond lengths are 3.28 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Pd atoms.
DOI: 10.17188/1315795
title: Materials Data on EuHgAu2 by Materials Project

description: EuAu2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Eu–Au bond lengths are 3.15 Å. Au is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Hg atoms. All Au–Hg bond lengths are 3.15 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1315796
title: Materials Data on ZrZnRh2 by Materials Project

description: ZrRh2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Zr–Rh bond lengths are 2.74 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Zn atoms. All Rh–Zn bond lengths are 2.74 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1315797
title: Materials Data on LiNpIr2 by Materials Project

description: LiNpIr2 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 Ir atoms. All Li–Ir bond lengths are 2.78 Å. Np is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Np–Ir bond lengths are 2.78 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Np atoms.
DOI: 10.17188/1315798
title: Materials Data on Zr2ZnAg2F14 by Materials Project

description: Zr2Ag2ZnF14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr4+ is bonded to seven F1- atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent ZnF6 octahedra and a cornercorner with one ZrF7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 28–35°. There are a spread of Zr–F bond distances ranging from 2.04–2.13 Å. Ag2+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.18 Å. Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZrF7 pentagonal bipyramids. There are two shorter (2.03 Å) and four longer (2.07 Å) Zn–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Zr4+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Ag2+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Zr4+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a linear geometry to two equivalent Ag2+ atoms.
DOI: 10.17188/1315799
title: Materials Data on Zr3Tl by Materials Project

description: Zr3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Tl atoms to form ZrZr8Tl4 cuboctahedra that share corners with twelve equivalent ZrZr8Tl4 cuboctahedra, edges with eight equivalent TlZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Tl4 cuboctahedra, faces with four equivalent TlZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Tl4 cuboctahedra. All Zr–Zr bond lengths are 3.18 Å. All Zr–Tl bond lengths are 3.18 Å. Tl is bonded to twelve equivalent Zr atoms to form TlZr12 cuboctahedra that share corners with twelve equivalent TlZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Tl4 cuboctahedra, faces with six equivalent TlZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Tl4 cuboctahedra.
DOI: 10.17188/1315800
title: Materials Data on MgSc2In by Materials Project

description: MgSc2In 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 Sc atoms. All Mg–Sc bond lengths are 3.08 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Sc–In bond lengths are 3.08 Å. In is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1315801
title: Materials Data on LuNiSn by Materials Project

description: LuNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Lu–Ni bond distances ranging from 2.92–3.26 Å. There are a spread of Lu–Sn bond distances ranging from 3.08–3.19 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.57–2.75 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Ni atoms.
DOI: 10.17188/1315802
title: Materials Data on Tm2TlCd by Materials Project

description: Tm2CdTl 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 Cd and four equivalent Tl atoms. All Tm–Cd bond lengths are 3.23 Å. All Tm–Tl bond lengths are 3.23 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1315803
title: Materials Data on NdInPd2 by Materials Project

description: NdPd2In 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 eight equivalent Pd atoms. All Nd–Pd bond lengths are 3.01 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent In atoms. All Pd–In bond lengths are 3.01 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1315804
title: Materials Data on Bi2Rh3S2 by Materials Project

description: Rh3Bi2S2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the second Rh site, Rh is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.92 Å) and two longer (2.93 Å) Rh–Bi bond lengths. Both Rh–S bond lengths are 2.32 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to four Bi and two equivalent S atoms. There are a spread of Rh–Bi bond distances ranging from 2.86–3.02 Å. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six Rh and two equivalent S atoms. Both Bi–S bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six Rh atoms. S is bonded in a 3-coordinate geometry to three Rh and one Bi atom.