cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1263063
title: Materials Data on K3Mn2O8 by Materials Project

description: K3Mn2O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.01 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the third K site, K is bonded in a 12-coordinate geometry to six O atoms. There are four shorter (2.84 Å) and two longer (2.85 Å) K–O bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Mn–O bond length. In the second Mn site, Mn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the fifth O site, O is bonded in a distorted single-bond geometry to four K and one Mn atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom.
DOI: 10.17188/1263064
title: Materials Data on Ba2Co9O14 by Materials Project

description: Ba2Co9O14 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.89–3.34 Å. There are five inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to four O2- atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–59°. All Co–O bond lengths are 1.95 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with three equivalent CoO6 octahedra, corners with three equivalent CoO4 tetrahedra, edges with three equivalent CoO6 octahedra, and a faceface with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There is three shorter (1.93 Å) and three longer (1.97 Å) Co–O bond length. In the third Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO4 tetrahedra and faces with two equivalent CoO6 octahedra. All Co–O bond lengths are 1.96 Å. In the fourth Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO4 tetrahedra and edges with eight CoO6 octahedra. All Co–O bond lengths are 1.93 Å. In the fifth Co+2.67+ site, Co+2.67+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Co–O bond lengths are 2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ba2+ and three Co+2.67+ atoms. In the second O2- site, O2- is bonded to four Co+2.67+ atoms to form distorted corner-sharing OCo4 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ba2+ and four Co+2.67+ atoms.
DOI: 10.17188/1263065
title: Materials Data on SrGaH4 by Materials Project

description: SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.
DOI: 10.17188/1263067
title: Materials Data on As3Pb5ClO9 by Materials Project

description: Pb5As3O9Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.90 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.49–2.65 Å. Both Pb–Cl bond lengths are 3.18 Å. As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.78 Å) and one longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pb2+ and one As3+ atom to form distorted OAsPb3 tetrahedra that share corners with two equivalent ClPb6 octahedra and edges with two equivalent OAsPb3 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one As3+ atom. Cl1- is bonded to six equivalent Pb2+ atoms to form ClPb6 octahedra that share corners with six equivalent OAsPb3 tetrahedra and faces with two equivalent ClPb6 octahedra.
DOI: 10.17188/1263068
title: Materials Data on SrV3O7 by Materials Project

description: SrV3O7 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.10 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.66 Å) and four longer (2.01 Å) V–O bond length. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three V4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Sr2+ and one V4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one V4+ atom.
DOI: 10.17188/1263069
title: Materials Data on InTeO3F by Materials Project

description: InTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In3+ is bonded to five O2- and one F1- atom to form corner-sharing InO5F octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There are a spread of In–O bond distances ranging from 2.15–2.29 Å. The In–F bond length is 2.24 Å. Te4+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.70 Å. There are one shorter (2.29 Å) and one longer (2.89 Å) Te–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. F1- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms.
DOI: 10.17188/1263070
title: Materials Data on MnCoH18(CN2)6 by Materials Project

description: Mn(CN)6Co(NH3)6 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three azane;cobalt molecules and three nsc43619 molecules.
DOI: 10.17188/1263071
title: Materials Data on CaCuAsHO5 by Materials Project

description: CaCuAsHO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.68 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.91–2.51 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of As–O bond distances ranging from 1.71–1.78 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+, two equivalent Cu2+, and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Cu2+, and one As5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one As5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Cu2+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Cu2+, and one As5+ atom.
DOI: 10.17188/1263074
title: Materials Data on CuO by Materials Project

description: CuO crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.83 Å) and one longer (1.84 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Cu2+ atoms.
DOI: 10.17188/1263075
title: Materials Data on CuO by Materials Project

description: CuO crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.82 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cu2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Cu2+ atoms.
DOI: 10.17188/1263081
title: Materials Data on Y(NiGe)2 by Materials Project

description: YNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Y–Ni bond lengths are 3.19 Å. All Y–Ge bond lengths are 3.14 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.36 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1263082
title: Materials Data on PrGe by Materials Project

description: PrGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.13–3.34 Å. Ge is bonded in a 9-coordinate geometry to seven equivalent Pr and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å.
DOI: 10.17188/1263083
title: Materials Data on YbCuGe by Materials Project

description: YbCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing YbCu6Ge6 cuboctahedra. All Yb–Cu bond lengths are 3.05 Å. All Yb–Ge bond lengths are 3.05 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.
DOI: 10.17188/1263084
title: Materials Data on Pr(CoSi)2 by Materials Project

description: PrCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.11 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.71 Å.
DOI: 10.17188/1263085
title: Materials Data on K6HgS4 by Materials Project

description: K6HgS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four S2- atoms to form distorted KS4 tetrahedra that share corners with two equivalent HgS4 tetrahedra, corners with eight equivalent KS4 tetrahedra, and an edgeedge with one HgS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.13–3.26 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.55 Å. Hg2+ is bonded to four S2- atoms to form HgS4 tetrahedra that share corners with six equivalent KS4 tetrahedra and edges with three equivalent KS4 tetrahedra. There are three shorter (2.65 Å) and one longer (2.66 Å) Hg–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to seven K1+ and one Hg2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Hg2+ atom.
DOI: 10.17188/1263086
title: Materials Data on K6Ge2O7 by Materials Project

description: K6Ge2O7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.09 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.06 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.97 Å. In the fourth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three GeO4 tetrahedra and an edgeedge with one GeO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.64–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.01 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.00 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and an edgeedge with one KO5 trigonal bipyramid. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent KO5 trigonal bipyramids. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom.
DOI: 10.17188/1263087
title: Materials Data on Nd2Te4O11 by Materials Project

description: Nd2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.68 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.41 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Nd3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Te4+ atoms.
DOI: 10.17188/1263088
title: Materials Data on Na3AlP2 by Materials Project

description: Na3AlP2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Na–P bond lengths are 2.89 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.27 Å. Al3+ is bonded to four equivalent P3- atoms to form edge-sharing AlP4 tetrahedra. All Al–P bond lengths are 2.43 Å. P3- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Al3+ atoms.
DOI: 10.17188/1263089
title: Materials Data on MnNi2Sb by Materials Project

description: Ni2MnSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sb atoms. All Mn–Ni bond lengths are 2.62 Å. All Mn–Sb bond lengths are 3.03 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.62 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ni atoms.
DOI: 10.17188/1263091
title: Materials Data on ZnSO4 by Materials Project

description: ZnSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.33 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Zn2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one S6+ atom.
DOI: 10.17188/1263093
title: Materials Data on Y(CoSi)2 by Materials Project

description: Y(CoSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Y–Si bond lengths are 3.02 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Y3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.51 Å.
DOI: 10.17188/1263094
title: Materials Data on ErGe3 by Materials Project

description: ErGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.24 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.81 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å.
DOI: 10.17188/1263095
title: Materials Data on K2CoS2 by Materials Project

description: K2CoS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.56 Å. Co2+ is bonded to four equivalent S2- atoms to form edge-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.31 Å. S2- is bonded in a 2-coordinate geometry to six equivalent K1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1263096
title: Materials Data on YPO4 by Materials Project

description: YPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.40 Å) Y–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Y3+ and one P5+ atom.