cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1279238
title: Materials Data on HfGeB2 by Materials Project

description: HfB2Ge crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf4+ is bonded to ten B3- atoms to form distorted HfB10 tetrahedra that share corners with six equivalent HfB10 tetrahedra, corners with twelve equivalent GeB4 tetrahedra, faces with four equivalent GeB4 tetrahedra, and faces with twelve equivalent HfB10 tetrahedra. There are four shorter (2.62 Å) and six longer (3.02 Å) Hf–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded to four equivalent Hf4+ atoms to form corner-sharing BHf4 tetrahedra. In the second B3- site, B3- is bonded in a 10-coordinate geometry to six equivalent Hf4+ and four equivalent Ge2+ atoms. All B–Ge bond lengths are 2.62 Å. Ge2+ is bonded to four equivalent B3- atoms to form distorted GeB4 tetrahedra that share corners with twelve equivalent HfB10 tetrahedra, corners with twelve equivalent GeB4 tetrahedra, and faces with four equivalent HfB10 tetrahedra.
DOI: 10.17188/1279239
title: Materials Data on CaBiB by Materials Project

description: CaBBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four bismuth molecules and one CaB framework. In the CaB framework, Ca2+ is bonded to four equivalent B3- atoms to form corner-sharing CaB4 tetrahedra. All Ca–B bond lengths are 2.99 Å. B3- is bonded to four equivalent Ca2+ atoms to form corner-sharing BCa4 tetrahedra.
DOI: 10.17188/1279240
title: Materials Data on MnAlTc by Materials Project

description: TcMnAl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc is bonded in a 4-coordinate geometry to six equivalent Mn and four equivalent Al atoms. All Tc–Mn bond lengths are 2.91 Å. All Tc–Al bond lengths are 2.52 Å. Mn is bonded in a 10-coordinate geometry to six equivalent Tc and four equivalent Al atoms. All Mn–Al bond lengths are 2.52 Å. Al is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Mn atoms.
DOI: 10.17188/1279241
title: Materials Data on SrBiB by Materials Project

description: SrBBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four bismuth molecules, four boron molecules, and four strontium molecules.
DOI: 10.17188/1279242
title: Materials Data on Na2TiAu by Materials Project

description: Na2TiAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Au atoms. All Na–Ti bond lengths are 2.99 Å. All Na–Au bond lengths are 2.99 Å. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Na atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Na atoms.
DOI: 10.17188/1279243
title: Materials Data on MnVNi by Materials Project

description: VMnNi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a 10-coordinate geometry to four equivalent Mn and six equivalent Ni atoms. All V–Mn bond lengths are 2.37 Å. All V–Ni bond lengths are 2.74 Å. Mn is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Ni atoms. All Mn–Ni bond lengths are 2.37 Å. Ni is bonded to six equivalent V and four equivalent Mn atoms to form a mixture of distorted face and corner-sharing NiMn4V6 tetrahedra.
DOI: 10.17188/1279244
title: Materials Data on BaGe2B by Materials Project

description: BaBGe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to four equivalent B and ten Ge atoms. All Ba–B bond lengths are 3.09 Å. There are four shorter (3.09 Å) and six longer (3.57 Å) Ba–Ge bond lengths. B is bonded to four equivalent Ba atoms to form BBa4 tetrahedra that share corners with four equivalent GeBa4Ge4 tetrahedra, corners with twelve equivalent BBa4 tetrahedra, and edges with six equivalent GeBa4Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form GeBa4Ge4 tetrahedra that share corners with four equivalent BBa4 tetrahedra, edges with six equivalent BBa4 tetrahedra, and edges with twelve equivalent GeBa4Ge4 tetrahedra. All Ge–Ge bond lengths are 3.09 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Ge atoms.
DOI: 10.17188/1279245
title: Materials Data on Sn2BSe by Materials Project

description: BSn2Se is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. B3- is bonded in a distorted body-centered cubic geometry to eight equivalent Sn+2.50+ atoms. All B–Sn bond lengths are 3.01 Å. Sn+2.50+ is bonded to four equivalent B3- and four equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing SnB4Se4 tetrahedra. All Sn–Se bond lengths are 3.01 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Sn+2.50+ atoms.
DOI: 10.17188/1279246
title: Materials Data on Hf2BiB by Materials Project

description: HfBHfBi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of one HfB framework and one HfBi framework. In the HfB framework, Hf is bonded to four equivalent B atoms to form distorted corner-sharing HfB4 tetrahedra. All Hf–B bond lengths are 2.97 Å. B is bonded to four equivalent Hf atoms to form distorted corner-sharing BHf4 tetrahedra. In the HfBi framework, Hf is bonded to four equivalent Bi atoms to form distorted corner-sharing HfBi4 tetrahedra. All Hf–Bi bond lengths are 2.97 Å. Bi is bonded to four equivalent Hf atoms to form distorted corner-sharing BiHf4 tetrahedra.
DOI: 10.17188/1279247
title: Materials Data on TlCoMo2 by Materials Project

description: Mo2CoTl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to four equivalent Mo and four equivalent Tl atoms to form distorted edge-sharing MoTl4Mo4 tetrahedra. All Mo–Mo bond lengths are 2.76 Å. All Mo–Tl bond lengths are 2.76 Å. In the second Mo site, Mo is bonded in a 4-coordinate geometry to four equivalent Mo, four equivalent Co, and six equivalent Tl atoms. All Mo–Co bond lengths are 2.76 Å. All Mo–Tl bond lengths are 3.19 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mo and four equivalent Tl atoms. All Co–Tl bond lengths are 2.76 Å. Tl is bonded in a distorted body-centered cubic geometry to ten Mo and four equivalent Co atoms.
DOI: 10.17188/1279248
title: Materials Data on SrMnRe2 by Materials Project

description: SrRe2Mn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent Mn atoms. There are four shorter (2.79 Å) and six longer (3.22 Å) Sr–Re bond lengths. All Sr–Mn bond lengths are 2.79 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Sr and four equivalent Re atoms to form distorted edge-sharing ReSr4Re4 tetrahedra. All Re–Re bond lengths are 2.79 Å. In the second Re site, Re is bonded in a 4-coordinate geometry to six equivalent Sr, four equivalent Re, and four equivalent Mn atoms. All Re–Mn bond lengths are 2.79 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Re atoms.
DOI: 10.17188/1279249
title: Materials Data on ZrAgMo by Materials Project

description: ZrMoAg is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Mo and four equivalent Ag atoms. All Zr–Mo bond lengths are 3.19 Å. All Zr–Ag bond lengths are 2.76 Å. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ag atoms. All Mo–Ag bond lengths are 2.76 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Mo atoms.
DOI: 10.17188/1279250
title: Materials Data on SiBAu by Materials Project

description: AuBSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au1- is bonded to six equivalent B3- and four equivalent Si4+ atoms to form a mixture of distorted face and corner-sharing AuSi4B6 tetrahedra. All Au–B bond lengths are 2.82 Å. All Au–Si bond lengths are 2.44 Å. B3- is bonded in a 10-coordinate geometry to six equivalent Au1- and four equivalent Si4+ atoms. All B–Si bond lengths are 2.44 Å. Si4+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent B3- atoms.
DOI: 10.17188/1279251
title: Materials Data on TlCoAs2 by Materials Project

description: CoTlAs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co3+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All Co–As bond lengths are 2.91 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All Tl–As bond lengths are 2.91 Å. As2- is bonded in a body-centered cubic geometry to four equivalent Co3+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1279252
title: Materials Data on MgBe2B by Materials Project

description: MgBe2B crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Be and four equivalent B atoms. All Mg–Be bond lengths are 2.36 Å. All Mg–B bond lengths are 2.36 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms. All Be–Be bond lengths are 2.36 Å. In the second Be site, Be is bonded to four equivalent Be and four equivalent B atoms to form distorted edge-sharing BeBe4B4 tetrahedra. All Be–B bond lengths are 2.36 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms.
DOI: 10.17188/1279253
title: Materials Data on GaAs2W by Materials Project

description: WGaAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. W3+ is bonded to four equivalent As3- atoms to form distorted corner-sharing WAs4 tetrahedra. All W–As bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. All Ga–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent W3+ and four equivalent As3- atoms. All As–As bond lengths are 2.81 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Ga3+ and four equivalent As3- atoms.
DOI: 10.17188/1279254
title: Materials Data on TaAuBr by Materials Project

description: TaAuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to six equivalent Au and four equivalent Br atoms to form a mixture of distorted corner and face-sharing TaAu6Br4 tetrahedra. All Ta–Au bond lengths are 3.16 Å. All Ta–Br bond lengths are 2.74 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ta and four equivalent Br atoms. All Au–Br bond lengths are 2.74 Å. Br is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Au atoms.
DOI: 10.17188/1279255
title: Materials Data on AgAsRu2 by Materials Project

description: Ru2AgAs crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to four equivalent Ru, six equivalent Ag, and four equivalent As atoms. All Ru–Ru bond lengths are 2.73 Å. All Ru–Ag bond lengths are 3.15 Å. All Ru–As bond lengths are 2.73 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to four equivalent Ru and four equivalent Ag atoms. All Ru–Ag bond lengths are 2.73 Å. Ag is bonded in a distorted body-centered cubic geometry to ten Ru and four equivalent As atoms. All Ag–As bond lengths are 2.73 Å. As is bonded in a distorted body-centered cubic geometry to four equivalent Ru and four equivalent Ag atoms.
DOI: 10.17188/1279256
title: Materials Data on AlAgB by Materials Project

description: AgAlB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ag is bonded to four equivalent Al atoms to form distorted AgAl4 tetrahedra that share corners with four equivalent BAl4 tetrahedra, corners with twelve equivalent AgAl4 tetrahedra, and edges with six equivalent BAl4 tetrahedra. All Ag–Al bond lengths are 2.46 Å. Al is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent B atoms. All Al–B bond lengths are 2.46 Å. B is bonded to four equivalent Al atoms to form distorted BAl4 tetrahedra that share corners with four equivalent AgAl4 tetrahedra, corners with twelve equivalent BAl4 tetrahedra, and edges with six equivalent AgAl4 tetrahedra.
DOI: 10.17188/1279257
title: Materials Data on BaHf2As by Materials Project

description: BaHf2As is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to eight equivalent Hf and six equivalent As atoms. All Ba–Hf bond lengths are 3.09 Å. All Ba–As bond lengths are 3.57 Å. Hf is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent As atoms. All Hf–As bond lengths are 3.09 Å. As is bonded in a distorted body-centered cubic geometry to six equivalent Ba and eight equivalent Hf atoms.
DOI: 10.17188/1279258
title: Materials Data on BaTaB by Materials Project

description: BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Ta and four equivalent B atoms to form a mixture of distorted face and corner-sharing BaTa6B4 tetrahedra. All Ba–Ta bond lengths are 3.19 Å. All Ba–B bond lengths are 2.76 Å. Ta is bonded in a 4-coordinate geometry to six equivalent Ba and four equivalent B atoms. All Ta–B bond lengths are 2.76 Å. B is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ta atoms.
DOI: 10.17188/1279259
title: Materials Data on Bi2OsAu by Materials Project

description: OsAuBi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os1- is bonded in a body-centered cubic geometry to eight equivalent Bi1+ atoms. All Os–Bi bond lengths are 3.06 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Bi1+ atoms. All Au–Bi bond lengths are 3.06 Å. Bi1+ is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Au1- atoms.
DOI: 10.17188/1279260
title: Materials Data on GaReAs by Materials Project

description: ReGaAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a 10-coordinate geometry to four equivalent Ga and six equivalent As atoms. All Re–Ga bond lengths are 2.61 Å. All Re–As bond lengths are 3.01 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent As atoms. All Ga–As bond lengths are 2.61 Å. As is bonded to six equivalent Re and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing AsGa4Re6 tetrahedra.
DOI: 10.17188/1279261
title: Materials Data on Re2AuSe by Materials Project

description: Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Au and four equivalent Se atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent ReAu6Se4 tetrahedra, edges with twelve equivalent ReAu4Se6 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 3.21 Å. All Re–Se bond lengths are 2.78 Å. In the second Re site, Re is bonded to four equivalent Au and six equivalent Se atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent ReAu4Se6 tetrahedra, edges with twelve equivalent ReAu6Se4 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 2.78 Å. All Re–Se bond lengths are 3.21 Å. Au is bonded in a 4-coordinate geometry to ten Re and four equivalent Se atoms. All Au–Se bond lengths are 2.78 Å. Se is bonded in a 4-coordinate geometry to ten Re and four equivalent Au atoms.
DOI: 10.17188/1279262
title: Materials Data on Ba2BeGa by Materials Project

description: BaBeBaGa crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of one BaBe framework and one BaGa framework. In the BaBe framework, Ba is bonded to four equivalent Be atoms to form distorted corner-sharing BaBe4 tetrahedra. All Ba–Be bond lengths are 3.40 Å. Be is bonded to four equivalent Ba atoms to form corner-sharing BeBa4 tetrahedra. In the BaGa framework, Ba is bonded to four equivalent Ga atoms to form distorted corner-sharing BaGa4 tetrahedra. All Ba–Ga bond lengths are 3.40 Å. Ga is bonded to four equivalent Ba atoms to form distorted corner-sharing GaBa4 tetrahedra.
DOI: 10.17188/1279263
title: Materials Data on TiCrAg by Materials Project

description: TiCrAg is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to four equivalent Cr and six equivalent Ag atoms. All Ti–Cr bond lengths are 2.64 Å. All Ti–Ag bond lengths are 3.05 Å. Cr is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ag atoms. All Cr–Ag bond lengths are 2.64 Å. Ag is bonded in a 4-coordinate geometry to six equivalent Ti and four equivalent Cr atoms.
DOI: 10.17188/1279264
title: Materials Data on MoPt2Br by Materials Project

description: MoPt2Br crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo5+ is bonded in a distorted body-centered cubic geometry to four equivalent Pt2- and four equivalent Br1- atoms. All Mo–Pt bond lengths are 2.79 Å. All Mo–Br bond lengths are 2.79 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Mo5+, four equivalent Pt2-, and six equivalent Br1- atoms. All Pt–Pt bond lengths are 2.79 Å. All Pt–Br bond lengths are 3.22 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Pt2- and four equivalent Br1- atoms to form distorted edge-sharing PtPt4Br4 tetrahedra. All Pt–Br bond lengths are 2.79 Å. Br1- is bonded in a body-centered cubic geometry to four equivalent Mo5+ and ten Pt2- atoms.
DOI: 10.17188/1279265
title: Materials Data on BiAs2Os by Materials Project

description: OsBiAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os3+ is bonded to four equivalent As3- atoms to form corner-sharing OsAs4 tetrahedra. All Os–As bond lengths are 2.94 Å. Bi3+ is bonded to four equivalent As3- atoms to form corner-sharing BiAs4 tetrahedra. All Bi–As bond lengths are 2.94 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent Os3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the second As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent Bi3+ and four equivalent As3- atoms.
DOI: 10.17188/1279266
title: Materials Data on BeSbAs2 by Materials Project

description: BeSbAs2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As+2.50- atoms. All Be–As bond lengths are 2.93 Å. Sb3+ is bonded in a body-centered cubic geometry to eight equivalent As+2.50- atoms. All Sb–As bond lengths are 2.93 Å. As+2.50- is bonded in a distorted body-centered cubic geometry to four equivalent Be2+ and four equivalent Sb3+ atoms.
DOI: 10.17188/1279267
title: Materials Data on BPd2Br by Materials Project

description: Pd2BBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Pd2+ and four equivalent Br1- atoms to form edge-sharing PdPd4Br4 tetrahedra. All Pd–Pd bond lengths are 2.74 Å. All Pd–Br bond lengths are 2.74 Å. In the second Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to four equivalent Pd2+, four equivalent B3-, and six equivalent Br1- atoms. All Pd–B bond lengths are 2.74 Å. All Pd–Br bond lengths are 3.16 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Pd2+ and four equivalent Br1- atoms. All B–Br bond lengths are 2.74 Å. Br1- is bonded in a 8-coordinate geometry to ten Pd2+ and four equivalent B3- atoms.
DOI: 10.17188/1279268
title: Materials Data on Ag2BBr by Materials Project

description: Ag2BBr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ag2+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Br1- atoms. All Ag–B bond lengths are 2.89 Å. All Ag–Br bond lengths are 2.89 Å. B3- is bonded in a body-centered cubic geometry to eight equivalent Ag2+ atoms. Br1- is bonded in a body-centered cubic geometry to eight equivalent Ag2+ atoms.
DOI: 10.17188/1279269
title: Materials Data on AlTc2Pb by Materials Project

description: Tc2AlPb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Tc sites. In the first Tc site, Tc is bonded to four equivalent Tc and four equivalent Pb atoms to form distorted edge-sharing TcTc4Pb4 tetrahedra. All Tc–Tc bond lengths are 2.82 Å. All Tc–Pb bond lengths are 2.82 Å. In the second Tc site, Tc is bonded in a 4-coordinate geometry to four equivalent Tc, four equivalent Al, and six equivalent Pb atoms. All Tc–Al bond lengths are 2.82 Å. All Tc–Pb bond lengths are 3.25 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Tc and four equivalent Pb atoms. All Al–Pb bond lengths are 2.82 Å. Pb is bonded in a distorted body-centered cubic geometry to ten Tc and four equivalent Al atoms.
DOI: 10.17188/1279270
title: Materials Data on B2IrCl by Materials Project

description: IrB2Cl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ir is bonded in a 8-coordinate geometry to eight equivalent B and six equivalent Cl atoms. All Ir–B bond lengths are 2.47 Å. All Ir–Cl bond lengths are 2.85 Å. B is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cl atoms. All B–Cl bond lengths are 2.47 Å. Cl is bonded in a distorted body-centered cubic geometry to six equivalent Ir and eight equivalent B atoms.
DOI: 10.17188/1279271
title: Materials Data on VN2(Cl3O)2 by Materials Project

description: VCl6(NO)2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two VCl6 clusters. In each VCl6 cluster, V4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.25–2.38 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom.