cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205675
title: Materials Data on NbCoSb by Materials Project

description: NbCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Sb3- atoms to form NbSb6 octahedra that share corners with six equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, edges with twelve equivalent NbSb6 octahedra, and faces with four equivalent CoSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–Sb bond lengths are 2.99 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with twelve equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, and faces with four equivalent NbSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–Sb bond lengths are 2.59 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Nb2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1205676
title: Materials Data on Er5BiPt2 by Materials Project

description: Er5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing ErBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Er–Pt bond lengths are 3.01 Å. Both Er–Bi bond lengths are 3.40 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.92 Å) and two longer (2.95 Å) Er–Pt bond lengths. Both Er–Bi bond lengths are 3.33 Å. Pt is bonded in a 8-coordinate geometry to eight Er atoms. Bi is bonded in a distorted q6 geometry to ten Er atoms.
DOI: 10.17188/1205677
title: Materials Data on Tb5Bi3 by Materials Project

description: Tb5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to five Bi atoms to form distorted TbBi5 trigonal bipyramids that share corners with six equivalent TbBi6 octahedra, corners with four equivalent TbBi5 square pyramids, edges with two equivalent TbBi6 octahedra, an edgeedge with one TbBi5 square pyramid, edges with two equivalent TbBi5 trigonal bipyramids, and a faceface with one TbBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Tb–Bi bond distances ranging from 3.15–3.39 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Tb–Bi bond distances ranging from 3.12–3.52 Å. In the third Tb site, Tb is bonded to five Bi atoms to form distorted TbBi5 square pyramids that share corners with five equivalent TbBi6 octahedra, corners with four equivalent TbBi5 trigonal bipyramids, an edgeedge with one TbBi6 octahedra, edges with two equivalent TbBi5 square pyramids, an edgeedge with one TbBi5 trigonal bipyramid, a faceface with one TbBi6 octahedra, and a faceface with one TbBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–46°. There are a spread of Tb–Bi bond distances ranging from 3.21–3.28 Å. In the fourth Tb site, Tb is bonded to six Bi atoms to form distorted TbBi6 octahedra that share corners with five equivalent TbBi5 square pyramids, corners with six equivalent TbBi5 trigonal bipyramids, an edgeedge with one TbBi5 square pyramid, edges with two equivalent TbBi5 trigonal bipyramids, faces with two equivalent TbBi6 octahedra, and a faceface with one TbBi5 square pyramid. There are a spread of Tb–Bi bond distances ranging from 3.15–3.46 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Tb atoms.
DOI: 10.17188/1205678
title: Materials Data on Dy5Bi3 by Materials Project

description: Dy5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 trigonal bipyramids that share corners with six equivalent DyBi6 octahedra, corners with four equivalent DyBi5 square pyramids, edges with two equivalent DyBi6 octahedra, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, and a faceface with one DyBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Dy–Bi bond distances ranging from 3.14–3.38 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.11–3.51 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 square pyramids that share corners with five equivalent DyBi6 octahedra, corners with four equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi6 octahedra, edges with two equivalent DyBi5 square pyramids, an edgeedge with one DyBi5 trigonal bipyramid, a faceface with one DyBi6 octahedra, and a faceface with one DyBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Dy–Bi bond distances ranging from 3.19–3.26 Å. In the fourth Dy site, Dy is bonded to six Bi atoms to form distorted DyBi6 octahedra that share corners with five equivalent DyBi5 square pyramids, corners with six equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, faces with two equivalent DyBi6 octahedra, and a faceface with one DyBi5 square pyramid. There are a spread of Dy–Bi bond distances ranging from 3.13–3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1205679
title: Materials Data on Ho5Bi3 by Materials Project

description: Ho5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to five Bi atoms to form distorted HoBi5 trigonal bipyramids that share corners with six equivalent HoBi6 octahedra, corners with four equivalent HoBi5 square pyramids, edges with two equivalent HoBi6 octahedra, an edgeedge with one HoBi5 square pyramid, edges with two equivalent HoBi5 trigonal bipyramids, and a faceface with one HoBi5 square pyramid. The corner-sharing octahedra tilt angles range from 31–40°. There are a spread of Ho–Bi bond distances ranging from 3.13–3.37 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Ho–Bi bond distances ranging from 3.10–3.50 Å. In the third Ho site, Ho is bonded to five Bi atoms to form distorted HoBi5 square pyramids that share corners with five equivalent HoBi6 octahedra, corners with four equivalent HoBi5 trigonal bipyramids, an edgeedge with one HoBi6 octahedra, edges with two equivalent HoBi5 square pyramids, an edgeedge with one HoBi5 trigonal bipyramid, a faceface with one HoBi6 octahedra, and a faceface with one HoBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–46°. There are a spread of Ho–Bi bond distances ranging from 3.17–3.25 Å. In the fourth Ho site, Ho is bonded to six Bi atoms to form distorted HoBi6 octahedra that share corners with five equivalent HoBi5 square pyramids, corners with six equivalent HoBi5 trigonal bipyramids, an edgeedge with one HoBi5 square pyramid, edges with two equivalent HoBi5 trigonal bipyramids, faces with two equivalent HoBi6 octahedra, and a faceface with one HoBi5 square pyramid. There are a spread of Ho–Bi bond distances ranging from 3.12–3.43 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Ho atoms.
DOI: 10.17188/1205680
title: Materials Data on Er5Bi3 by Materials Project

description: Er5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded to five Bi atoms to form distorted ErBi5 square pyramids that share corners with five equivalent ErBi6 octahedra, corners with four equivalent ErBi5 trigonal bipyramids, an edgeedge with one ErBi6 octahedra, edges with two equivalent ErBi5 square pyramids, an edgeedge with one ErBi5 trigonal bipyramid, a faceface with one ErBi6 octahedra, and a faceface with one ErBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Er–Bi bond distances ranging from 3.17–3.23 Å. In the second Er site, Er is bonded to six Bi atoms to form distorted ErBi6 octahedra that share corners with five equivalent ErBi5 square pyramids, corners with six equivalent ErBi5 trigonal bipyramids, an edgeedge with one ErBi5 square pyramid, edges with two equivalent ErBi5 trigonal bipyramids, faces with two equivalent ErBi6 octahedra, and a faceface with one ErBi5 square pyramid. There are a spread of Er–Bi bond distances ranging from 3.10–3.41 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Er–Bi bond distances ranging from 3.09–3.48 Å. In the fourth Er site, Er is bonded to five Bi atoms to form distorted ErBi5 trigonal bipyramids that share corners with six equivalent ErBi6 octahedra, corners with four equivalent ErBi5 square pyramids, edges with two equivalent ErBi6 octahedra, an edgeedge with one ErBi5 square pyramid, edges with two equivalent ErBi5 trigonal bipyramids, and a faceface with one ErBi5 square pyramid. The corner-sharing octahedra tilt angles range from 31–41°. There are a spread of Er–Bi bond distances ranging from 3.11–3.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Er atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to eight Er atoms.
DOI: 10.17188/1205681
title: Materials Data on Ga3Pd7 by Materials Project

description: Ga3Pd7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Ga atoms. There are two shorter (2.55 Å) and two longer (2.77 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.58–2.96 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Ga atoms. There are two shorter (2.59 Å) and one longer (2.61 Å) Pd–Ga bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to four Ga atoms. There are two shorter (2.58 Å) and two longer (2.91 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to eight Pd atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to ten Pd atoms.
DOI: 10.17188/1205682
title: Materials Data on LiCaN by Materials Project

description: LiCaN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Li–N bond lengths. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.44–2.49 Å. N3- is bonded to three equivalent Li1+ and four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing NLi3Ca4 pentagonal bipyramids.
DOI: 10.17188/1205683
title: Materials Data on Hf5CuSn3 by Materials Project

description: Hf5CuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Hf–Sn bond lengths are 3.03 Å. In the second Hf site, Hf is bonded to two equivalent Cu and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing HfCu2Sn5 pentagonal bipyramids. Both Hf–Cu bond lengths are 2.69 Å. There are a spread of Hf–Sn bond distances ranging from 2.94–3.11 Å. Cu is bonded to six equivalent Hf atoms to form face-sharing CuHf6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1205684
title: Materials Data on Er(SiAu)2 by Materials Project

description: Er(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Si4- atoms to form ErSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ErSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ErSi8 hexagonal bipyramids. All Er–Si bond lengths are 3.22 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ErSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ErSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.56 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Er3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.28 Å.
DOI: 10.17188/1205685
title: Materials Data on Na4TlAu by Materials Project

description: Na4AuTl crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to four equivalent Au and one Tl atom. All Na–Au bond lengths are 3.07 Å. The Na–Tl bond length is 3.31 Å. In the second Na site, Na is bonded in a 11-coordinate geometry to five Na and six equivalent Tl atoms. There are a spread of Na–Na bond distances ranging from 3.27–3.31 Å. There are four shorter (3.59 Å) and two longer (3.74 Å) Na–Tl bond lengths. In the third Na site, Na is bonded in a 12-coordinate geometry to one Na, two equivalent Au, and three equivalent Tl atoms. Both Na–Au bond lengths are 3.13 Å. There are two shorter (3.66 Å) and one longer (3.77 Å) Na–Tl bond lengths. Au is bonded in a 10-coordinate geometry to eight Na and two equivalent Au atoms. Both Au–Au bond lengths are 2.77 Å. Tl is bonded in a 1-coordinate geometry to thirteen Na and one Tl atom. The Tl–Tl bond length is 3.16 Å.
DOI: 10.17188/1205686
title: Materials Data on K3PbAu5 by Materials Project

description: K3Au5Pb crystallizes in the orthorhombic Imma 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 equivalent Au1- atoms. There are two shorter (3.60 Å) and four longer (3.66 Å) K–Au bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to ten Au1- atoms. There are a spread of K–Au bond distances ranging from 3.41–3.76 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 10-coordinate geometry to six K1+, three Au1-, and one Pb2+ atom. There are two shorter (2.82 Å) and one longer (2.90 Å) Au–Au bond lengths. The Au–Pb bond length is 2.77 Å. In the second Au1- site, Au1- is bonded to six equivalent K1+ and six Au1- atoms to form a mixture of face and edge-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 2.91 Å. In the third Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent K1+ and six Au1- atoms. Both Au–Au bond lengths are 2.89 Å. Pb2+ is bonded in a distorted water-like geometry to two equivalent Au1- atoms.
DOI: 10.17188/1205687
title: Materials Data on Rb5Hg19 by Materials Project

description: Rb5Hg19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to sixteen Hg atoms. There are eight shorter (3.91 Å) and eight longer (4.18 Å) Rb–Hg bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.79–4.25 Å. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to four Rb and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.23 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Hg atoms. In the third Hg site, Hg is bonded in a 10-coordinate geometry to four Rb and six Hg atoms. All Hg–Hg bond lengths are 3.31 Å. In the fourth Hg site, Hg is bonded in a distorted cuboctahedral geometry to four equivalent Rb and eight equivalent Hg atoms.
DOI: 10.17188/1205688
title: Materials Data on K2Hg7 by Materials Project

description: K2Hg7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are a spread of K–Hg bond distances ranging from 3.73–3.82 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted octahedral geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.13 Å. In the second Hg site, Hg is bonded in a 9-coordinate geometry to four equivalent K and five Hg atoms. There are two shorter (3.15 Å) and two longer (3.24 Å) Hg–Hg bond lengths.
DOI: 10.17188/1205689
title: Materials Data on Rb2Hg7 by Materials Project

description: Rb2Hg7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to twelve equivalent Hg atoms. There are nine shorter (3.84 Å) and three longer (3.97 Å) Rb–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to six equivalent Hg atoms. All Hg–Hg bond lengths are 3.22 Å. In the second Hg site, Hg is bonded in a 9-coordinate geometry to four equivalent Rb and five Hg atoms. There are two shorter (3.16 Å) and two longer (3.33 Å) Hg–Hg bond lengths.
DOI: 10.17188/1205690
title: Materials Data on Er4(Al8Pt3)3 by Materials Project

description: Er4Pt9Al24 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Er–Pt bond distances ranging from 3.28–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.06–3.21 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Er–Pt bond distances ranging from 3.28–3.53 Å. There are a spread of Er–Al bond distances ranging from 3.07–3.21 Å. There are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are four shorter (2.58 Å) and four longer (2.62 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.55–2.64 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.76 Å. In the fifth Pt site, Pt is bonded in a 10-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pt atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the seventh Al site, Al is bonded to one Er and four Pt atoms to form a mixture of distorted edge and corner-sharing AlErPt4 tetrahedra. In the eighth Al site, Al is bonded to one Er and four Pt atoms to form a mixture of distorted edge and corner-sharing AlErPt4 tetrahedra. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pt atoms. In the tenth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the eleventh Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms.
DOI: 10.17188/1205691
title: Materials Data on CsHC2 by Materials Project

description: CsC2H crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to nine C1- and one H1+ atom. There are a spread of Cs–C bond distances ranging from 3.38–3.71 Å. The Cs–H bond length is 3.40 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one C1-, and one H1+ atom. The C–C bond length is 1.25 Å. The C–H bond length is 1.08 Å. In the second C1- site, C1- is bonded in a 6-coordinate geometry to five equivalent Cs1+ and one C1- atom. H1+ is bonded in a single-bond geometry to one Cs1+ and one C1- atom.
DOI: 10.17188/1205692
title: Materials Data on Ca3(GaPt)2 by Materials Project

description: Ca3(PtGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to four equivalent Pt and five Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.02–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.51 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ga atoms. All Ca–Pt bond lengths are 3.15 Å. There are two shorter (3.07 Å) and one longer (3.21 Å) Ca–Ga bond lengths. Pt is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ca and four equivalent Pt atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.
DOI: 10.17188/1205693
title: Materials Data on Dy(SiPt)2 by Materials Project

description: Dy(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Dy–Pt bond lengths are 3.24 Å. All Dy–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.32 Å.