cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262528
title: Materials Data on KInS2 by Materials Project

description: KInS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.36 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.43 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are one shorter (2.48 Å) and three longer (2.49 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are one shorter (2.48 Å) and three longer (2.49 Å) In–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent In3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent In3+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two In3+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two In3+ atoms. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to two K1+ and two In3+ atoms.
DOI: 10.17188/1262529
title: Materials Data on CsDyI3 by Materials Project

description: CsDyI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.42 Å. Dy is bonded to six I atoms to form corner-sharing DyI6 octahedra. The corner-sharing octahedra tilt angles range from 12–18°. All Dy–I bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two equivalent Dy atoms. In the second I site, I is bonded to three equivalent Cs and two equivalent Dy atoms to form a mixture of distorted edge and corner-sharing ICs3Dy2 square pyramids.
DOI: 10.17188/1262530
title: Materials Data on Mn2CuO4 by Materials Project

description: CuMn2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Mn–O bond lengths are 2.04 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cu–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Mn3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OMn3Cu trigonal pyramids.
DOI: 10.17188/1262531
title: Materials Data on VCdCuO4 by Materials Project

description: CuCd(VO4) is Esseneite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There is two shorter (1.74 Å) and two longer (1.78 Å) V–O bond length. Cu1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.89 Å) and two longer (2.42 Å) Cu–O bond lengths. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent CdO6 octahedra. There are four shorter (2.31 Å) and two longer (2.39 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Cu1+, and one Cd2+ atom. In the second O2- site, O2- is bonded to one V5+, one Cu1+, and two equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing OVCd2Cu tetrahedra.
DOI: 10.17188/1262532
title: Materials Data on Ce2(WO4)3 by Materials Project

description: Ce2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.39–2.56 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ce3+ and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one W6+ atom.
DOI: 10.17188/1262533
title: Materials Data on Th(Re2Si)2 by Materials Project

description: Th(Re2Si)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to ten Re and seven Si atoms. There are a spread of Th–Re bond distances ranging from 3.29–3.52 Å. There are a spread of Th–Si bond distances ranging from 3.12–3.18 Å. There are four inequivalent Re sites. In the first Re site, Re is bonded in a 12-coordinate geometry to two equivalent Th, eight Re, and two equivalent Si atoms. There are a spread of Re–Re bond distances ranging from 2.62–2.98 Å. Both Re–Si bond lengths are 2.52 Å. In the second Re site, Re is bonded in a 12-coordinate geometry to three equivalent Th, six Re, and three Si atoms. There are a spread of Re–Re bond distances ranging from 2.61–2.77 Å. There are one shorter (2.49 Å) and two longer (2.60 Å) Re–Si bond lengths. In the third Re site, Re is bonded in a 12-coordinate geometry to two equivalent Th, eight Re, and three Si atoms. There are one shorter (2.73 Å) and two longer (2.90 Å) Re–Re bond lengths. There are a spread of Re–Si bond distances ranging from 2.48–3.04 Å. In the fourth Re site, Re is bonded to three equivalent Th, six Re, and three equivalent Si atoms to form distorted face-sharing ReTh3Re6Si3 cuboctahedra. There are one shorter (2.46 Å) and two longer (2.54 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Th, five Re, and one Si atom. The Si–Si bond length is 2.61 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Th and six Re atoms.
DOI: 10.17188/1262534
title: Materials Data on K2LiInAs2 by Materials Project

description: K2LiInAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five As3- atoms to form distorted KAs5 trigonal bipyramids that share corners with six equivalent LiAs4 tetrahedra, corners with six equivalent InAs4 tetrahedra, corners with four equivalent KAs5 trigonal bipyramids, edges with two equivalent LiAs4 tetrahedra, edges with two equivalent InAs4 tetrahedra, and edges with eight KAs5 trigonal bipyramids. There are a spread of K–As bond distances ranging from 3.44–3.52 Å. In the second K1+ site, K1+ is bonded to five As3- atoms to form distorted KAs5 trigonal bipyramids that share corners with six equivalent LiAs4 tetrahedra, corners with six equivalent InAs4 tetrahedra, corners with four equivalent KAs5 trigonal bipyramids, edges with two equivalent LiAs4 tetrahedra, edges with two equivalent InAs4 tetrahedra, and edges with eight KAs5 trigonal bipyramids. There are a spread of K–As bond distances ranging from 3.40–3.61 Å. Li1+ is bonded to four As3- atoms to form LiAs4 tetrahedra that share corners with two equivalent LiAs4 tetrahedra, corners with two equivalent InAs4 tetrahedra, corners with twelve KAs5 trigonal bipyramids, an edgeedge with one LiAs4 tetrahedra, edges with three equivalent InAs4 tetrahedra, and edges with four KAs5 trigonal bipyramids. There are two shorter (2.81 Å) and two longer (2.83 Å) Li–As bond lengths. In3+ is bonded to four As3- atoms to form InAs4 tetrahedra that share corners with two equivalent LiAs4 tetrahedra, corners with two equivalent InAs4 tetrahedra, corners with twelve KAs5 trigonal bipyramids, an edgeedge with one InAs4 tetrahedra, edges with three equivalent LiAs4 tetrahedra, and edges with four KAs5 trigonal bipyramids. There are two shorter (2.74 Å) and two longer (2.75 Å) In–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to five K1+, two equivalent Li1+, and two equivalent In3+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to five K1+, two equivalent Li1+, and two equivalent In3+ atoms.
DOI: 10.17188/1262535
title: Materials Data on SmBeF4 by Materials Project

description: BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.62 Å. Sm2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sm–F bond distances ranging from 2.34–2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Sm2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Sm2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms.
DOI: 10.17188/1262536
title: Materials Data on EuTa2O6 by Materials Project

description: EuTa2O6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.53–2.65 Å. Ta5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 25–42°. There are a spread of Ta–O bond distances ranging from 1.94–2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Eu2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Eu2+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu2+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1262537
title: Materials Data on Gd2Br3N by Materials Project

description: Gd2NBr3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 2-coordinate geometry to two N3- and four Br1- atoms. There are one shorter (2.24 Å) and one longer (2.29 Å) Gd–N bond lengths. There are a spread of Gd–Br bond distances ranging from 2.84–3.33 Å. In the second Gd3+ site, Gd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Br1- atoms. There are one shorter (2.25 Å) and one longer (2.30 Å) Gd–N bond lengths. There are a spread of Gd–Br bond distances ranging from 2.95–3.17 Å. In the third Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to two N3- and four Br1- atoms. There are one shorter (2.26 Å) and one longer (2.29 Å) Gd–N bond lengths. There are a spread of Gd–Br bond distances ranging from 2.86–3.20 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 2-coordinate geometry to two equivalent N3- and five Br1- atoms. There are one shorter (2.24 Å) and one longer (2.27 Å) Gd–N bond lengths. There are a spread of Gd–Br bond distances ranging from 2.98–3.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Gd3+ atoms to form edge-sharing NGd4 tetrahedra. In the second N3- site, N3- is bonded to four Gd3+ atoms to form edge-sharing NGd4 tetrahedra. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four Gd3+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the fifth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Gd3+ atoms. In the sixth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Gd3+ atoms.
DOI: 10.17188/1262539
title: Materials Data on BaGd2PdO5 by Materials Project

description: Gd2BaPdO5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.97 Å) and eight longer (2.99 Å) Ba–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.57 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Gd3+, and one Pd2+ atom. In the second O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Gd3+ atoms to form distorted corner-sharing OBa2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 0–34°.
DOI: 10.17188/1262540
title: Materials Data on Na3(FeSe2)2 by Materials Project

description: Na3(FeSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with eight equivalent FeSe4 tetrahedra, edges with two equivalent FeSe4 tetrahedra, and faces with two equivalent NaSe6 octahedra. There are a spread of Na–Se bond distances ranging from 2.94–3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.95–3.56 Å. Fe+2.50+ is bonded to four Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent NaSe6 octahedra, an edgeedge with one NaSe6 octahedra, and edges with two equivalent FeSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–63°. There are a spread of Fe–Se bond distances ranging from 2.39–2.42 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Fe+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Fe+2.50+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Fe+2.50+ atoms.
DOI: 10.17188/1262541
title: Materials Data on NaHfCuSe3 by Materials Project

description: NaHfCuSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.02–3.47 Å. Hf4+ is bonded to six Se2- atoms to form HfSe6 octahedra that share a cornercorner with one CuSe4 tetrahedra, edges with four equivalent HfSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. There are a spread of Hf–Se bond distances ranging from 2.61–2.79 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share a cornercorner with one HfSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, edges with two equivalent HfSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are a spread of Cu–Se bond distances ranging from 2.44–2.55 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Na1+ and three equivalent Hf4+ atoms to form distorted edge-sharing SeNa2Hf3 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Na1+, one Hf4+, and three equivalent Cu1+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Na1+, two equivalent Hf4+, and one Cu1+ atom.
DOI: 10.17188/1262542
title: Materials Data on HS9N by Materials Project

description: NHS9 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nonathiazecane molecules. N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two equivalent S+0.22- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. H1+ is bonded in a single-bond geometry to one N1+ atom. There are five inequivalent S+0.22- sites. In the first S+0.22- site, S+0.22- is bonded in a distorted single-bond geometry to one N1+ and one S+0.22- atom. The S–S bond length is 2.06 Å. In the second S+0.22- site, S+0.22- is bonded in a water-like geometry to two equivalent S+0.22- atoms. Both S–S bond lengths are 2.08 Å. In the third S+0.22- site, S+0.22- is bonded in a bent 120 degrees geometry to two S+0.22- atoms. The S–S bond length is 2.05 Å. In the fourth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.22- site, S+0.22- is bonded in a water-like geometry to two S+0.22- atoms.
DOI: 10.17188/1262545
title: Materials Data on Cs2Te13 by Materials Project

description: Cs2Te13 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 3.82–4.27 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Te+0.15- atoms. There are a spread of Cs–Te bond distances ranging from 4.01–4.46 Å. There are seven inequivalent Te+0.15- sites. In the first Te+0.15- site, Te+0.15- is bonded in a 3-coordinate geometry to two Cs1+ and three Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.57 Å. In the second Te+0.15- site, Te+0.15- is bonded in a 5-coordinate geometry to one Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.81–3.51 Å. In the third Te+0.15- site, Te+0.15- is bonded in a 6-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are a spread of Te–Te bond distances ranging from 2.86–3.62 Å. In the fourth Te+0.15- site, Te+0.15- is bonded in a 4-coordinate geometry to two Cs1+ and four Te+0.15- atoms. There are one shorter (2.98 Å) and one longer (3.66 Å) Te–Te bond lengths. In the fifth Te+0.15- site, Te+0.15- is bonded in a 7-coordinate geometry to two Cs1+ and five Te+0.15- atoms. The Te–Te bond length is 2.83 Å. In the sixth Te+0.15- site, Te+0.15- is bonded in a 6-coordinate geometry to one Cs1+ and five Te+0.15- atoms. In the seventh Te+0.15- site, Te+0.15- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Te+0.15- atoms.
DOI: 10.17188/1262546
title: Materials Data on As2Pb2O5 by Materials Project

description: Pb2As2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.99 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–3.18 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.78–1.87 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.77–1.88 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one As3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Pb2+ and one As3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and two As3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Pb2+ and one As3+ atom.
DOI: 10.17188/1262547
title: Materials Data on YSiPd by Materials Project

description: YPdSi crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are a spread of Y–Pd bond distances ranging from 2.92–3.12 Å. There are a spread of Y–Si bond distances ranging from 3.02–3.21 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Si atoms. There are two shorter (3.08 Å) and four longer (3.10 Å) Y–Pd bond lengths. There are four shorter (3.11 Å) and two longer (3.15 Å) Y–Si bond lengths. In the third Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Si atoms. All Y–Pd bond lengths are 3.20 Å. There are four shorter (2.98 Å) and two longer (3.00 Å) Y–Si bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Y, one Pd, and three Si atoms. The Pd–Pd bond length is 3.03 Å. There are two shorter (2.51 Å) and one longer (2.54 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Y and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.53–2.78 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Y and four Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Y, three Pd, and one Si atom. The Si–Si bond length is 2.61 Å.