cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1694534
title: Materials Data on K2RbCrF6 by Materials Project

description: RbK2CrF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.63 Å. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent CrF6 octahedra. All K–F bond lengths are 3.24 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.93 Å. F1- is bonded in a 2-coordinate geometry to one Rb1+, four equivalent K1+, and one Cr3+ atom.
DOI: 10.17188/1694536
title: Materials Data on K3B3O10 by Materials Project

description: K3B3O10 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.76–3.18 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.72–3.27 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.30 Å. There are three inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.45 Å) and one longer (1.47 Å) B–O bond length. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.35 Å) and one longer (1.42 Å) B–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one B atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two K and two B atoms. In the third O site, O is bonded in a distorted single-bond geometry to two K and one B atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one K and two B atoms. In the fifth O site, O is bonded in a 2-coordinate geometry to three K and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one B atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three K and one B atom. In the eighth O site, O is bonded in a single-bond geometry to three K and one B atom. In the ninth O site, O is bonded in a 2-coordinate geometry to three K and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to three K and one B atom.
DOI: 10.17188/1694537
title: Materials Data on AlInSb2 by Materials Project

description: InAlSb2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. In3+ is bonded to four Sb3- atoms to form InSb4 tetrahedra that share corners with six equivalent InSb4 tetrahedra and corners with six equivalent AlSb4 tetrahedra. There are three shorter (2.82 Å) and one longer (2.87 Å) In–Sb bond lengths. Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share corners with six equivalent InSb4 tetrahedra and corners with six equivalent AlSb4 tetrahedra. There are one shorter (2.68 Å) and three longer (2.75 Å) Al–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to three equivalent In3+ and one Al3+ atom to form corner-sharing SbAlIn3 tetrahedra. In the second Sb3- site, Sb3- is bonded to one In3+ and three equivalent Al3+ atoms to form corner-sharing SbAl3In tetrahedra.
DOI: 10.17188/1694538
title: Materials Data on BaYF5 by Materials Project

description: BaYF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–3.16 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ba–F bond distances ranging from 2.58–3.10 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven F1- atoms to form corner-sharing YF7 pentagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.20–2.38 Å. In the second Y3+ site, Y3+ is bonded to seven F1- atoms to form distorted corner-sharing YF7 pentagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.19–2.40 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Ba2+ and two Y3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Ba2+ and one Y3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Ba2+ and one Y3+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Y3+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and two Y3+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and two Y3+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to three Ba2+ and one Y3+ atom. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to two Ba2+ and one Y3+ atom. In the ninth F1- site, F1- is bonded in a 3-coordinate geometry to two Ba2+ and one Y3+ atom. In the tenth F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+ and two Y3+ atoms.
DOI: 10.17188/1694539
title: Materials Data on Dy4(Al8Pd3)3 by Materials Project

description: Dy4(Pd3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Dy–Pd bond distances ranging from 3.31–3.54 Å. There are a spread of Dy–Al bond distances ranging from 3.08–3.26 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Dy–Pd bond distances ranging from 3.31–3.54 Å. There are a spread of Dy–Al bond distances ranging from 3.08–3.25 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.54–2.74 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.61 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the fifth Pd site, Pd is bonded in a 8-coordinate geometry to four Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.63 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Dy and three Pd atoms. In the second Al site, Al is bonded to four Pd atoms to form distorted AlPd4 tetrahedra that share corners with six AlDyPd4 tetrahedra and edges with three AlPd4 tetrahedra. In the third Al site, Al is bonded to one Dy and four Pd atoms to form a mixture of distorted edge and corner-sharing AlDyPd4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Dy and three Pd atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the ninth Al site, Al is bonded to one Dy and four Pd atoms to form a mixture of distorted edge and corner-sharing AlDyPd4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms.
DOI: 10.17188/1694542
title: Materials Data on CeGa7Fe5 by Materials Project

description: CeFe5Ga7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to ten Fe and ten Ga atoms. There are a spread of Ce–Fe bond distances ranging from 3.21–3.37 Å. There are a spread of Ce–Ga bond distances ranging from 2.91–3.23 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ce, three Fe, and seven Ga atoms to form distorted FeCe2Ga7Fe3 cuboctahedra that share corners with two equivalent GaCe2Ga6Fe4 cuboctahedra, corners with twelve FeCe2Ga7Fe3 cuboctahedra, an edgeedge with one GaCe2Ga6Fe4 cuboctahedra, edges with five FeCe2Ga7Fe3 cuboctahedra, faces with two equivalent GaCe2Ga6Fe4 cuboctahedra, and faces with eight FeCe2Ga7Fe3 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.49–2.55 Å. There are a spread of Fe–Ga bond distances ranging from 2.49–2.70 Å. In the second Fe site, Fe is bonded to two equivalent Ce, four equivalent Fe, and six Ga atoms to form FeCe2Ga6Fe4 cuboctahedra that share corners with six equivalent GaCe2Ga6Fe4 cuboctahedra, corners with eight equivalent FeCe2Ga7Fe3 cuboctahedra, an edgeedge with one GaCe2Ga6Fe4 cuboctahedra, edges with six FeCe2Ga7Fe3 cuboctahedra, a faceface with one GaCe2Ga6Fe4 cuboctahedra, and faces with eight equivalent FeCe2Ga7Fe3 cuboctahedra. There are a spread of Fe–Ga bond distances ranging from 2.60–2.71 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, four equivalent Fe, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.85 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to one Ce, six Fe, and three Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Ce, five Fe, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–2.80 Å. In the fourth Ga site, Ga is bonded to two equivalent Ce, four equivalent Fe, and six Ga atoms to form distorted GaCe2Ga6Fe4 cuboctahedra that share corners with fourteen FeCe2Ga7Fe3 cuboctahedra, edges with two equivalent GaCe2Ga6Fe4 cuboctahedra, edges with five FeCe2Ga7Fe3 cuboctahedra, and faces with nine FeCe2Ga7Fe3 cuboctahedra. Both Ga–Ga bond lengths are 2.74 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ce, five Fe, and five Ga atoms.
DOI: 10.17188/1694543
title: Materials Data on CeIn3Pt by Materials Project

description: CePtIn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a cuboctahedral geometry to twelve equivalent In atoms. All Ce–In bond lengths are 3.48 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Pt and twelve equivalent In atoms. All Ce–Pt bond lengths are 3.48 Å. There are eight shorter (3.38 Å) and four longer (3.49 Å) Ce–In bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Pt–In bond lengths are 2.73 Å. In is bonded in a 2-coordinate geometry to four Ce and two equivalent Pt atoms.
DOI: 10.17188/1694544
title: Materials Data on U2BiTe2 by Materials Project

description: U2BiTe2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one U2BiTe2 sheet oriented in the (0, 0, 1) direction. U is bonded to four equivalent U, one Bi, and one Te atom to form distorted UU4BiTe octahedra that share corners with five equivalent UU4BiTe octahedra, edges with four equivalent UU4BiTe octahedra, and edges with four equivalent BiU2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–U bond lengths are 3.09 Å. The U–Bi bond length is 3.24 Å. The U–Te bond length is 3.08 Å. Bi is bonded to two equivalent U and four equivalent Bi atoms to form distorted BiU2Bi4 octahedra that share corners with four equivalent BiU2Bi4 octahedra, edges with four equivalent BiU2Bi4 octahedra, and edges with eight equivalent UU4BiTe octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Bi bond lengths are 3.09 Å. Te is bonded in a distorted single-bond geometry to one U atom.
DOI: 10.17188/1694545
title: Materials Data on SnAs2O9 by Materials Project

description: (Sn(AsO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(AsO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(AsO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–50°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There is three shorter (1.72 Å) and one longer (1.76 Å) As–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one As atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Sn and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one As atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Sn and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1694546
title: Materials Data on NaNb2O4 by Materials Project

description: NaNb2O4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NaNb2O4 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NaO6 octahedra. All Na–O bond lengths are 2.38 Å. Nb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.19 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Nb+3.50+ atoms to form a mixture of edge and corner-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.
DOI: 10.17188/1694548
title: Materials Data on Ba7Sn3S13 by Materials Project

description: Ba7Sn3S13 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.26–3.55 Å. In the second Ba2+ site, Ba2+ is bonded to six S2- atoms to form distorted BaS6 pentagonal pyramids that share a cornercorner with one SnS4 tetrahedra, edges with two SnS4 tetrahedra, and a faceface with one BaS6 pentagonal pyramid. There are a spread of Ba–S bond distances ranging from 3.09–3.47 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.18–3.71 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.23–3.71 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share a cornercorner with one BaS6 pentagonal pyramid and an edgeedge with one BaS6 pentagonal pyramid. There are a spread of Sn–S bond distances ranging from 2.41–2.43 Å. In the second Sn4+ site, Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share edges with two equivalent BaS6 pentagonal pyramids. There are a spread of Sn–S bond distances ranging from 2.37–2.44 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Ba2+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Ba2+ and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Sn4+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Sn4+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Sn4+ atom. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to four Ba2+ and one Sn4+ atom. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to six Ba2+ atoms.
DOI: 10.17188/1694549
title: Materials Data on Mn3Sn8N9 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: 10.17188/1694550
title: Materials Data on NaSbS2 by Materials Project

description: NaSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six S2- atoms to form NaS6 octahedra that share corners with two equivalent SbS6 octahedra, corners with four equivalent NaS6 octahedra, edges with four equivalent NaS6 octahedra, and edges with eight equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are four shorter (2.79 Å) and two longer (3.01 Å) Na–S bond lengths. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with two equivalent NaS6 octahedra, corners with four equivalent SbS6 octahedra, edges with four equivalent SbS6 octahedra, and edges with eight equivalent NaS6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are two shorter (2.76 Å) and four longer (2.79 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Na1+ and three equivalent Sb3+ atoms to form a mixture of corner and edge-sharing SNa3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second S2- site, S2- is bonded to three equivalent Na1+ and three equivalent Sb3+ atoms to form a mixture of corner and edge-sharing SNa3Sb3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.
DOI: 10.17188/1694551
title: Materials Data on BeSO8 by Materials Project

description: BeO4SO4 is Halite, Rock Salt-like structured and crystallizes in the tetragonal I4/mcm space group. The structure is zero-dimensional and consists of four sulfuric acid molecules and four BeO4 clusters. In each BeO4 cluster, Be is bonded in a square co-planar geometry to four equivalent O atoms. All Be–O bond lengths are 1.72 Å. O is bonded in a single-bond geometry to one Be atom.
DOI: 10.17188/1694552
title: Materials Data on KNaTi4(PO4)6 by Materials Project

description: KNaTi4(PO4)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.69 Å. Na1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.64 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.94 Å) and three longer (1.98 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (1.98 Å) Ti–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ti4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ti4+, and one P5+ atom.
DOI: 10.17188/1694554
title: Materials Data on Al3Ni2Pt by Materials Project

description: PtNi2Al3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.66 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are four shorter (2.49 Å) and four longer (2.56 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Ni atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.