cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1278992
title: Materials Data on InS by Materials Project

description: InS crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two InS sheets oriented in the (0, 1, 0) direction. In2+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of In–S bond distances ranging from 2.55–3.31 Å. S2- is bonded in a 4-coordinate geometry to five equivalent In2+ atoms.
DOI: 10.17188/1278993
title: Materials Data on Sr2FeClO3 by Materials Project

description: Sr2FeO3Cl crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Sr–O bond lengths are 2.58 Å. There are four shorter (3.05 Å) and one longer (3.34 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.84 Å. Fe3+ is bonded to five O2- atoms to form distorted corner-sharing FeO5 square pyramids. There is one shorter (1.93 Å) and four longer (2.02 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+ and two equivalent Fe3+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Fe3+ atom to form distorted OSr5Fe octahedra that share corners with sixteen OSr4Fe2 octahedra, edges with eight equivalent OSr5Fe octahedra, and faces with four equivalent OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 13–55°. Cl1- is bonded in a 5-coordinate geometry to five equivalent Sr2+ atoms.
DOI: 10.17188/1278994
title: Materials Data on CsGdSiS4 by Materials Project

description: CsGdSiS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.48–3.86 Å. Gd3+ is bonded to seven S2- atoms to form distorted GdS7 pentagonal bipyramids that share corners with two equivalent GdS7 pentagonal bipyramids, a cornercorner with one SiS4 tetrahedra, edges with two equivalent GdS7 pentagonal bipyramids, and edges with three equivalent SiS4 tetrahedra. There are a spread of Gd–S bond distances ranging from 2.81–3.02 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share a cornercorner with one GdS7 pentagonal bipyramid and edges with three equivalent GdS7 pentagonal bipyramids. There are a spread of Si–S bond distances ranging from 2.11–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cs1+, two equivalent Gd3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Gd3+, and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+, two equivalent Gd3+, and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Gd3+, and one Si4+ atom.
DOI: 10.17188/1278995
title: Materials Data on Mg(FeO2)2 by Materials Project

description: MgFe2O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.70 Å. Fe3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are a spread of Fe–O bond distances ranging from 1.98–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and three equivalent Fe3+ atoms to form distorted OMg2Fe3 trigonal bipyramids that share corners with five equivalent OMg2Fe2 tetrahedra, corners with two equivalent OMg2Fe3 trigonal bipyramids, an edgeedge with one OMg2Fe2 tetrahedra, and edges with five equivalent OMg2Fe3 trigonal bipyramids. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Mg2+ and four equivalent Fe3+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Fe3+ atoms to form OMg2Fe2 tetrahedra that share corners with two equivalent OMg2Fe2 tetrahedra, corners with ten equivalent OMg2Fe3 trigonal bipyramids, and edges with two equivalent OMg2Fe3 trigonal bipyramids.
DOI: 10.17188/1278996
title: Materials Data on KHgC3(SN)3 by Materials Project

description: KHgC3(NS)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven N3- and one S2- atom. There are a spread of K–N bond distances ranging from 3.00–3.31 Å. The K–S bond length is 3.69 Å. Hg2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.48–2.81 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C4+ atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one K1+, two equivalent Hg2+, and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom.
DOI: 10.17188/1278997
title: Materials Data on CdInGaS4 by Materials Project

description: CdInGaS4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two CdInGaS4 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six S2- atoms to form CdS6 octahedra that share corners with three equivalent InS4 tetrahedra, corners with three equivalent GaS4 tetrahedra, and edges with six equivalent CdS6 octahedra. All Cd–S bond lengths are 2.68 Å. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with three equivalent CdS6 octahedra and corners with six equivalent InS4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.40 Å) and three longer (2.53 Å) In–S bond lengths. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with three equivalent CdS6 octahedra and corners with six equivalent GaS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.21 Å) and three longer (2.44 Å) Ga–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms. In the second S2- site, S2- is bonded to three equivalent Cd2+ and one In3+ atom to form a mixture of distorted corner and edge-sharing SCd3In trigonal pyramids. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the fourth S2- site, S2- is bonded to three equivalent Cd2+ and one Ga3+ atom to form distorted SCd3Ga trigonal pyramids that share corners with nine SCd3Ga trigonal pyramids and edges with three equivalent SCd3In trigonal pyramids.
DOI: 10.17188/1278998
title: Materials Data on Yb4Cu2Sn5 by Materials Project

description: Yb4Cu2Sn5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Cu and seven Sn atoms. Both Yb–Cu bond lengths are 3.14 Å. There are a spread of Yb–Sn bond distances ranging from 3.23–3.81 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Cu and eight Sn atoms. All Yb–Cu bond lengths are 3.07 Å. There are a spread of Yb–Sn bond distances ranging from 3.24–3.45 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Yb–Sn bond distances ranging from 3.28–3.59 Å. Cu is bonded in a 9-coordinate geometry to four Yb and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Yb, one Cu, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to five Yb, three equivalent Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.20 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six Yb, two equivalent Cu, and four equivalent Sn atoms.
DOI: 10.17188/1278999
title: Materials Data on Nd3(GeRu)2 by Materials Project

description: Nd3(RuGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Nd–Ru bond distances ranging from 2.92–3.19 Å. There are a spread of Nd–Ge bond distances ranging from 3.13–3.57 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.08 Å) and two longer (3.26 Å) Nd–Ru bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.06–3.45 Å. Ru is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.56–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Nd and four equivalent Ru atoms to form a mixture of distorted edge, corner, and face-sharing GeNd8Ru4 cuboctahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Ru atoms.
DOI: 10.17188/1279000
title: Materials Data on Cs3NaPb4 by Materials Project

description: Cs3NaPb4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 1-coordinate geometry to seven Pb atoms. There are a spread of Cs–Pb bond distances ranging from 3.90–4.30 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Cs–Pb bond distances ranging from 4.28–4.40 Å. Na is bonded in a distorted hexagonal planar geometry to six Pb atoms. There are two shorter (3.33 Å) and four longer (3.40 Å) Na–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to five Cs, two equivalent Na, and three Pb atoms. There are two shorter (3.17 Å) and one longer (3.33 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a 10-coordinate geometry to six Cs, one Na, and three Pb atoms. The Pb–Pb bond length is 3.08 Å.
DOI: 10.17188/1279001
title: Materials Data on Sr2Co(PO4)2 (SG:14) 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: 10.17188/1279002
title: Materials Data on Mn2C7S2O7 by Materials Project

description: Mn2C7S2O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four Mn2C7S2O7 clusters. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to four C2+ and two S2- atoms. There are a spread of Mn–C bond distances ranging from 1.83–2.05 Å. Both Mn–S bond lengths are 2.33 Å. In the second Mn2+ site, Mn2+ is bonded in a 5-coordinate geometry to three C2+ and two S2- atoms. There is two shorter (1.83 Å) and one longer (1.86 Å) Mn–C bond length. There are one shorter (2.32 Å) and one longer (2.33 Å) Mn–S bond lengths. There are seven inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C2+ site, C2+ is bonded in a single-bond geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C2+ site, C2+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two Mn2+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Mn2+ atoms. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C2+ atom.
DOI: 10.17188/1279003
title: Materials Data on Yb2Pt2Pb by Materials Project

description: Yb2Pt2Pb crystallizes in the tetragonal P4_2/mnm 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 Pt and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (2.96 Å) Yb–Pt bond lengths. All Yb–Pb bond lengths are 3.42 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pt and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (3.00 Å) Yb–Pt bond lengths. All Yb–Pb bond lengths are 3.47 Å. Pt is bonded in a 6-coordinate geometry to six Yb and two equivalent Pb atoms. Both Pt–Pb bond lengths are 3.03 Å. Pb is bonded to eight Yb and four equivalent Pt atoms to form a mixture of corner and face-sharing PbYb8Pt4 cuboctahedra.
DOI: 10.17188/1279004
title: Materials Data on Fe3Pb4ClO8 by Materials Project

description: Pb4Fe3O8Cl crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five O2- atoms to form distorted FeO5 trigonal bipyramids that share a cornercorner with one FeO6 octahedra and corners with four equivalent FeO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.89 Å) and four longer (2.05 Å) Fe–O bond length. In the second Fe3+ site, Fe3+ is bonded to five O2- atoms to form distorted FeO5 trigonal bipyramids that share a cornercorner with one FeO6 octahedra and corners with four equivalent FeO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.89 Å) and four longer (2.05 Å) Fe–O bond length. In the third Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent FeO6 octahedra and corners with two FeO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.99–2.10 Å. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.67–2.84 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.44 Å. All Pb–Cl bond lengths are 3.37 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.69–2.83 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.43 Å. All Pb–Cl bond lengths are 3.41 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Fe3+ and four Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two Fe3+ and four equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two Fe3+ and four equivalent Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Pb2+ atoms. Cl1- is bonded in a body-centered cubic geometry to eight Pb2+ atoms.
DOI: 10.17188/1279005
title: Materials Data on RbLiNd2(MoO4)4 by Materials Project

description: RbLiNd2(MoO4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.30 Å. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.09–2.57 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.60 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Nd3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Li1+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Nd3+, and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Li1+, and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Li1+, and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Mo6+ atom.
DOI: 10.6073/pasta/ebedc0ef28d5eda14a8eb4bf972cbaf3
title: North Temperate Lakes LTER: Fish Lengths and Weights 1981 - current

description: Data are collected annually to enable us to track the fish assemblages of eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout, bog lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Mendota, Monona, Wingra and Fish). Sampling on Lakes Monona, Wingra, and Fish started in 1995; sampling on other lakes started in 1981. Sampling is done at six littoral zone sites per lake with seine, minnow or crayfish traps, and fyke nets; a boat-mounted electrofishing system samples four littoral transects. Vertically hung gill nets are used to obtain two pelagic samples per lake from the deepest point. A trammel net samples across the thermocline at two sites per lake. In the bog lakes only fyke nets and minnow traps are deployed. Parameters measured include species-level identification and lengths for all fish caught, and weight and scale samples from a subset. Dominant species vary from lake to lake. Perch, rockbass, and bluegill are common, with walleye, large and smallmouth bass, northern pike and muskellunge as major piscivores. Cisco have been present in the pelagic waters of four lakes, and an exotic species, rainbow smelt, is present in two. The bog lakes contain mudminnows. The only sampling done in 2020 were a single gill-netting replicate in Sparkling, Crystal, and Trout lakes. Sampling Frequency: annually Number of sites: 11
DOI: 10.17188/1279006
title: Materials Data on Ca2In4Au3 by Materials Project

description: Ca2Au3In4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 5-coordinate geometry to five Au and eight In atoms. There are a spread of Ca–Au bond distances ranging from 3.07–3.25 Å. There are a spread of Ca–In bond distances ranging from 3.37–3.46 Å. In the second Ca site, Ca is bonded in a 6-coordinate geometry to six Au atoms. There are a spread of Ca–Au bond distances ranging from 3.31–3.38 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four Ca and five In atoms. There are a spread of Au–In bond distances ranging from 2.78–2.94 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to four Ca and five In atoms. There are a spread of Au–In bond distances ranging from 2.77–2.99 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to three Ca and six In atoms. There are a spread of Au–In bond distances ranging from 2.79–2.98 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Ca and four Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to one Ca and four Au atoms. In the third In site, In is bonded in a 4-coordinate geometry to two equivalent Ca and four Au atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Ca and four Au atoms.