cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1276330
title: Materials Data on LaTe2 by Materials Project

description: LaTe2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.46 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.33–3.42 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.33–3.42 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.46 Å. There are eight inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are a spread of Te–Te bond distances ranging from 3.09–3.40 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are one shorter (3.20 Å) and one longer (3.40 Å) Te–Te bond lengths. In the third Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the fourth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the fifth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the sixth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the seventh Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are one shorter (3.08 Å) and one longer (3.27 Å) Te–Te bond lengths. In the eighth Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms.
DOI: 10.17188/1276331
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276332
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276333
title: Materials Data on Er14(InPd)3 by Materials Project

description: Er14(PdIn)3 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are seven inequivalent Er sites. In the first Er site, Er is bonded in a 1-coordinate geometry to one Pd and three In atoms. The Er–Pd bond length is 2.77 Å. There are one shorter (3.25 Å) and two longer (3.55 Å) Er–In bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to one Pd and two In atoms. The Er–Pd bond length is 3.43 Å. There are one shorter (3.12 Å) and one longer (3.33 Å) Er–In bond lengths. In the third Er site, Er is bonded in a distorted L-shaped geometry to one Er, two Pd, and two In atoms. The Er–Er bond length is 3.61 Å. There are one shorter (2.83 Å) and one longer (2.89 Å) Er–Pd bond lengths. There are one shorter (3.45 Å) and one longer (3.56 Å) Er–In bond lengths. In the fourth Er site, Er is bonded in a 4-coordinate geometry to ten Er, two equivalent Pd, and two equivalent In atoms. There are a spread of Er–Er bond distances ranging from 3.47–3.63 Å. Both Er–Pd bond lengths are 3.50 Å. Both Er–In bond lengths are 3.38 Å. In the fifth Er site, Er is bonded in a distorted linear geometry to four equivalent Er and two equivalent In atoms. Both Er–In bond lengths are 3.26 Å. In the sixth Er site, Er is bonded in a 3-coordinate geometry to two equivalent Er, three equivalent Pd, and three In atoms. There are one shorter (2.77 Å) and two longer (2.90 Å) Er–Pd bond lengths. There are one shorter (3.12 Å) and two longer (3.37 Å) Er–In bond lengths. In the seventh Er site, Er is bonded in a distorted bent 150 degrees geometry to four equivalent Er, two equivalent Pd, and two equivalent In atoms. Both Er–Pd bond lengths are 2.82 Å. Both Er–In bond lengths are 3.67 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to eight Er atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to eight Er and one In atom. The Pd–In bond length is 3.07 Å. There are two inequivalent In sites. In the first In site, In is bonded to eleven Er and one In atom to form a mixture of corner and face-sharing InEr11In cuboctahedra. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a 12-coordinate geometry to ten Er and two equivalent Pd atoms.
DOI: 10.17188/1276334
title: Materials Data on SmSnPd by Materials Project

description: SmPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sn atoms. There are a spread of Sm–Pd bond distances ranging from 3.14–3.42 Å. There are a spread of Sm–Sn bond distances ranging from 3.25–3.36 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.72–2.92 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pd atoms.
DOI: 10.17188/1276336
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276337
title: Materials Data on LiMgSbPt by Materials Project

description: LiMgPtSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb1- atoms to form corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Mg2+ is bonded to four equivalent Pt2- atoms to form corner-sharing MgPt4 tetrahedra. All Mg–Pt bond lengths are 2.83 Å. Pt2- is bonded in a distorted body-centered cubic geometry to four equivalent Mg2+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.83 Å. Sb1- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four equivalent Pt2- atoms.
DOI: 10.17188/1276338
title: Materials Data on Nd(SiOs)2 by Materials Project

description: Nd(OsSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- atoms. All Nd–Os bond lengths are 3.25 Å. Os+1.50- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Si atoms. All Os–Si bond lengths are 2.41 Å. Si is bonded in a 5-coordinate geometry to four equivalent Os+1.50- and one Si atom. The Si–Si bond length is 2.62 Å.
DOI: 10.17188/1276339
title: Materials Data on Na2LiN by Materials Project

description: Na2LiN crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four equivalent Na1+, four equivalent Li1+, and five equivalent N3- atoms. All Na–Na bond lengths are 2.74 Å. All Na–Li bond lengths are 2.39 Å. There are one shorter (2.51 Å) and four longer (2.89 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted face and edge-sharing NaNa4N4 tetrahedra. All Na–N bond lengths are 2.72 Å. Li1+ is bonded in a distorted body-centered cubic geometry to four equivalent Na1+ and four equivalent N3- atoms. All Li–N bond lengths are 2.40 Å. N3- is bonded in a 9-coordinate geometry to nine Na1+ and four equivalent Li1+ atoms.
DOI: 10.17188/1276340
title: Materials Data on Mo2C by Materials Project

description: Mo2C is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one Mo2C sheet oriented in the (0, 0, 1) direction. Mo2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. All Mo–C bond lengths are 2.17 Å. C4- is bonded to six equivalent Mo2+ atoms to form distorted edge-sharing CMo6 pentagonal pyramids.
DOI: 10.17188/1276341
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of eight CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276342
title: Materials Data on CdI2 (SG:156) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1276343
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276344
title: Materials Data on Ga2Au7 by Materials Project

description: Au7Ga2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are six inequivalent Au+0.71- sites. In the first Au+0.71- site, Au+0.71- is bonded in a distorted trigonal non-coplanar geometry to three Au+0.71- and three Ga+2.50+ atoms. There are two shorter (2.94 Å) and one longer (2.99 Å) Au–Au bond lengths. There are one shorter (2.84 Å) and two longer (2.87 Å) Au–Ga bond lengths. In the second Au+0.71- site, Au+0.71- is bonded in a distorted trigonal planar geometry to three equivalent Au+0.71- and three Ga+2.50+ atoms. There are one shorter (2.92 Å) and two longer (3.10 Å) Au–Au bond lengths. There are two shorter (2.69 Å) and one longer (2.77 Å) Au–Ga bond lengths. In the third Au+0.71- site, Au+0.71- is bonded in a 2-coordinate geometry to two equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Au bond lengths are 2.86 Å. Both Au–Ga bond lengths are 2.77 Å. In the fourth Au+0.71- site, Au+0.71- is bonded in a 4-coordinate geometry to nine Au+0.71- and four equivalent Ga+2.50+ atoms. The Au–Au bond length is 2.89 Å. All Au–Ga bond lengths are 2.96 Å. In the fifth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to nine Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.91 Å. In the sixth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to three equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.80 Å. There are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded in a 10-coordinate geometry to ten Au+0.71- atoms. In the second Ga+2.50+ site, Ga+2.50+ is bonded in a distorted q6 geometry to ten Au+0.71- atoms.
DOI: 10.17188/1276345
title: Materials Data on Ba(Mo3S4)2 by Materials Project

description: BaMo6S8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.01–3.30 Å. There are three inequivalent Mo+2.33+ sites. In the first Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.38–2.65 Å. In the second Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.37–2.65 Å. In the third Mo+2.33+ site, Mo+2.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.68 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Ba2+ and three Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Ba2+ and four Mo+2.33+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Ba2+ and four Mo+2.33+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Ba2+ and four Mo+2.33+ atoms.
DOI: 10.17188/1276346
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of twelve CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276347
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276348
title: Materials Data on Sm4Mg3Co2 by Materials Project

description: Mg3Sm4Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Sm, and one Co atom. The Mg–Mg bond length is 3.15 Å. There are a spread of Mg–Sm bond distances ranging from 3.33–3.56 Å. The Mg–Co bond length is 3.12 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Sm and two equivalent Co atoms. There are four shorter (3.23 Å) and four longer (3.44 Å) Mg–Sm bond lengths. Both Mg–Co bond lengths are 3.07 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.90 Å) and two longer (2.97 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Sm–Co bond lengths are 2.73 Å. Co is bonded in a 9-coordinate geometry to two Mg, six Sm, and one Co atom. The Co–Co bond length is 2.33 Å.
DOI: 10.17188/1276349
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of twelve CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276350
title: Materials Data on Yb3Ag2 by Materials Project

description: Yb3Ag2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Ag atoms. There are four shorter (3.18 Å) and two longer (3.19 Å) Yb–Ag bond lengths. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ag atoms. All Yb–Ag bond lengths are 3.22 Å. Ag is bonded in a 9-coordinate geometry to eight Yb and one Ag atom. The Ag–Ag bond length is 3.00 Å.
DOI: 10.17188/1276351
title: Materials Data on HfGaPt by Materials Project

description: HfPtGa crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are a spread of Hf–Pt bond distances ranging from 2.80–2.87 Å. There are a spread of Hf–Ga bond distances ranging from 2.98–3.16 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.67 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.61 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Pt atoms.
DOI: 10.17188/1276352
title: Materials Data on LiW6CCl18 by Materials Project

description: LiW6CCl18 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent WCCl5 octahedra. The corner-sharing octahedral tilt angles are 46°. All Li–Cl bond lengths are 2.78 Å. W+3.50+ is bonded to one C4- and five Cl1- atoms to form WCCl5 octahedra that share a cornercorner with one LiCl6 octahedra, corners with two equivalent WCCl5 octahedra, edges with two equivalent WCCl5 octahedra, and a faceface with one WCCl5 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. The W–C bond length is 2.16 Å. There are a spread of W–Cl bond distances ranging from 2.39–2.46 Å. C4- is bonded in a distorted pentagonal pyramidal geometry to six equivalent W+3.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one W+3.50+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W+3.50+ atoms.
DOI: 10.17188/1276353
title: Materials Data on CdI2 (SG:156) by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1276354
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276355
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of ten CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1276356
title: Materials Data on Sr2LiInGe2 by Materials Project

description: LiSr2InGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to one In and four Ge atoms. The Li–In bond length is 3.03 Å. There are a spread of Li–Ge bond distances ranging from 2.80–2.94 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to three equivalent In and five Ge atoms. There are two shorter (3.76 Å) and one longer (3.77 Å) Sr–In bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.23–3.35 Å. In the second Sr site, Sr is bonded in a 5-coordinate geometry to four equivalent In and five Ge atoms. There are two shorter (3.44 Å) and two longer (3.63 Å) Sr–In bond lengths. There are a spread of Sr–Ge bond distances ranging from 3.22–3.27 Å. In is bonded in a 12-coordinate geometry to one Li, seven Sr, and four Ge atoms. There are a spread of In–Ge bond distances ranging from 2.92–2.96 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four Sr, and two equivalent In atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to one Li, six Sr, and two equivalent In atoms.
DOI: 10.17188/1276357
title: Materials Data on HfAlPt by Materials Project

description: HfPtAl crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to five Pt and six equivalent Al atoms. There are a spread of Hf–Pt bond distances ranging from 2.79–2.88 Å. There are a spread of Hf–Al bond distances ranging from 3.01–3.18 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Al atoms. All Pt–Al bond lengths are 2.58 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Al atoms. All Pt–Al bond lengths are 2.67 Å. Al is bonded in a 4-coordinate geometry to six equivalent Hf and four Pt atoms.