cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1261836
title: Materials Data on Sm3(GaNi3)2 by Materials Project

description: Sm3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.80 Å) and four longer (3.06 Å) Sm–Ni bond lengths. All Sm–Ga bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.59 Å) and two longer (2.92 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.50 Å. Ga is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of corner and face-sharing GaSm6Ni6 cuboctahedra.
DOI: 10.17188/1261837
title: Materials Data on Ce2Co7B3 by Materials Project

description: Ce2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All Ce–Co bond lengths are 2.90 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Ce–Co bond lengths are 2.92 Å. All Ce–B bond lengths are 2.90 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.83 Å) and six longer (2.99 Å) Ce–Co bond lengths. All Ce–B bond lengths are 2.90 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and six equivalent Co atoms. All Co–Co bond lengths are 2.49 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ce, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted square co-planar geometry to four Ce and four B atoms. All Co–B bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ce and six Co atoms.
DOI: 10.17188/1261880
title: Materials Data on Ti3Co5B2 by Materials Project

description: Ti3Co5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.48 Å. In the second Ti site, Ti is bonded in a 1-coordinate geometry to ten Co and three equivalent B atoms. There are a spread of Ti–Co bond distances ranging from 2.58–2.72 Å. There are one shorter (2.45 Å) and two longer (2.53 Å) Ti–B bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent B atoms. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 9-coordinate geometry to three equivalent Ti and six Co atoms.
DOI: 10.17188/1261882
title: Materials Data on Fe2W2C by Materials Project

description: Fe2W2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 9-coordinate geometry to six Fe and three C atoms. There are two shorter (2.76 Å) and four longer (2.77 Å) W–Fe bond lengths. There are two shorter (2.14 Å) and one longer (2.23 Å) W–C bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to six equivalent W and six Fe atoms. There are three shorter (2.37 Å) and three longer (2.39 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share corners with six equivalent CW6 octahedra, edges with six equivalent CW6 octahedra, and faces with six equivalent FeFe6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with six equivalent CW6 octahedra, edges with six equivalent FeFe6W6 cuboctahedra, and faces with two equivalent CW6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second C site, C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with twelve equivalent FeFe6W6 cuboctahedra and faces with four equivalent CW6 octahedra.
DOI: 10.17188/1261884
title: Materials Data on Eu3Sn2S7 by Materials Project

description: Eu3Sn2S7 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.15 Å) and four longer (3.18 Å) Eu–S bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.96–3.21 Å. Sn4+ is bonded to five S2- atoms to form corner-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.46–2.79 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted see-saw-like geometry to two equivalent Eu2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded to four Eu2+ and one Sn4+ atom to form distorted SEu4Sn square pyramids that share corners with two equivalent SEu4Sn2 octahedra, corners with eight SEu4Sn square pyramids, edges with five SEu4Sn square pyramids, a faceface with one SEu4Sn2 octahedra, and a faceface with one SEu4Sn square pyramid. The corner-sharing octahedral tilt angles are 60°. In the third S2- site, S2- is bonded to four Eu2+ and one Sn4+ atom to form distorted SEu4Sn square pyramids that share corners with three equivalent SEu4Sn2 octahedra, corners with eight SEu4Sn square pyramids, an edgeedge with one SEu4Sn2 octahedra, edges with five SEu4Sn square pyramids, and a faceface with one SEu4Sn square pyramid. The corner-sharing octahedra tilt angles range from 9–34°. In the fourth S2- site, S2- is bonded to four equivalent Eu2+ and two equivalent Sn4+ atoms to form SEu4Sn2 octahedra that share corners with ten SEu4Sn square pyramids, edges with two equivalent SEu4Sn2 octahedra, edges with two equivalent SEu4Sn square pyramids, and faces with two equivalent SEu4Sn square pyramids.
DOI: 10.17188/1261885
title: Materials Data on V3SiNi2 by Materials Project

description: Ni2SiV3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V is bonded in a 2-coordinate geometry to eight equivalent V, four equivalent Ni, and two equivalent Si atoms. There are four shorter (2.77 Å) and four longer (2.97 Å) V–V bond lengths. There are two shorter (2.48 Å) and two longer (2.63 Å) V–Ni bond lengths. Both V–Si bond lengths are 2.66 Å. Ni is bonded in a 12-coordinate geometry to six equivalent V, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.60 Å. All Ni–Si bond lengths are 2.32 Å. Si is bonded to six equivalent V and six equivalent Ni atoms to form face-sharing SiV6Ni6 cuboctahedra.
DOI: 10.17188/1261886
title: Materials Data on Er4NiB13 by Materials Project

description: Er4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.54–2.89 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.17 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Er3+, one Ni3+, and four B+1.15- atoms. There are a spread of B–B bond distances ranging from 1.77–2.10 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. The B–B bond length is 1.89 Å. In the third B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Er3+ and eight equivalent B+1.15- atoms.
DOI: 10.17188/1261887
title: Materials Data on InTeCl by Materials Project

description: InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.
DOI: 10.17188/1261888
title: Materials Data on U3Ni3Sb4 by Materials Project

description: U3Ni3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight equivalent Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.26 Å) U–Sb bond lengths. Ni1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Ni–Sb bond lengths are 2.63 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent U3+ and three equivalent Ni1+ atoms.
DOI: 10.17188/1261889
title: Materials Data on KCeF4 by Materials Project

description: KCeF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.79 Å. Ce3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ce–F bond distances ranging from 2.34–2.55 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing FKCe3 tetrahedra. In the third F1- site, F1- is bonded to two equivalent K1+ and two equivalent Ce3+ atoms to form distorted FK2Ce2 tetrahedra that share corners with ten FK2Ce2 tetrahedra and an edgeedge with one FKCe3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ce3+ atom.
DOI: 10.17188/1261894
title: Materials Data on La3CuSiS7 by Materials Project

description: La3CuSiS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.16 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.26 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.12 Å) and three longer (2.15 Å) Si–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and one Cu1+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Si4+ atom.
DOI: 10.17188/1261895
title: Materials Data on Eu2SiO4 by Materials Project

description: Eu2SiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–3.14 Å. In the second Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.51–3.09 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Eu2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Eu2+ and one Si4+ atom.
DOI: 10.17188/1261896
title: Materials Data on Hf2P by Materials Project

description: Hf2P crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted T-shaped geometry to three P atoms. There are a spread of Hf–P bond distances ranging from 2.70–2.84 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.63–2.98 Å. In the third Hf site, Hf is bonded to five P atoms to form distorted edge-sharing HfP5 trigonal bipyramids. There are a spread of Hf–P bond distances ranging from 2.63–2.68 Å. In the fourth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Hf–P bond distances ranging from 2.60–3.08 Å. In the fifth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.65 Å) and two longer (2.73 Å) Hf–P bond lengths. In the sixth Hf site, Hf is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are two shorter (2.64 Å) and one longer (2.72 Å) Hf–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Hf atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Hf atoms. In the third P site, P is bonded to seven Hf atoms to form distorted edge-sharing PHf7 pentagonal bipyramids.
DOI: 10.17188/1261897
title: Materials Data on SbClO by Materials Project

description: SbOCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.29 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. There are one shorter (2.00 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.43 Å) and one longer (2.97 Å) Sb–Cl bond lengths. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.03 Å) and one longer (2.06 Å) Sb–O bond lengths. There are one shorter (2.42 Å) and one longer (3.00 Å) Sb–Cl bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Sb3+ atoms.
DOI: 10.17188/1261899
title: Materials Data on RbIn(WO4)2 by Materials Project

description: RbIn(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent WO4 tetrahedra, and faces with two equivalent InO6 octahedra. There are six shorter (3.15 Å) and six longer (3.47 Å) Rb–O bond lengths. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent InO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. There is one shorter (1.78 Å) and three longer (1.83 Å) W–O bond length. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent WO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All In–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one W6+, and one In3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one W6+ atom.
DOI: 10.17188/1261900
title: Materials Data on KBiF6 by Materials Project

description: KBiF6 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All K–F bond lengths are 2.74 Å. Bi5+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Bi–F bond lengths are 2.05 Å. F1- is bonded in a bent 150 degrees geometry to one K1+ and one Bi5+ atom.
DOI: 10.17188/1261901
title: Materials Data on LiCa2Ge3 by Materials Project

description: LiCa2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.68–2.84 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.95–3.18 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.41 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Ge atoms. The Ge–Ge bond length is 2.47 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Ca, and two Ge atoms. The Ge–Ge bond length is 2.61 Å.
DOI: 10.17188/1261902
title: Materials Data on EuBa2ReO6 by Materials Project

description: Ba2EuReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ba–O bond lengths are 3.04 Å. Eu3+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.34 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Eu3+, and one Re5+ atom.
DOI: 10.18157/qogeuregnov20
title: The Quality of Government EU Regional Dataset
DOI: 10.17188/1262001
title: Materials Data on AlTl2F5 by Materials Project

description: Tl2AlF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Tl–F bond distances ranging from 2.77–3.40 Å. Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is four shorter (1.82 Å) and two longer (1.90 Å) Al–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Al3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to four equivalent Tl1+ and two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to four equivalent Tl1+ and one Al3+ atom.
DOI: 10.17188/1262002
title: Materials Data on SrPbF6 by Materials Project

description: SrPbF6 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (2.79 Å) Sr–F bond lengths. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.15 Å) Pb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ atoms.
DOI: 10.17188/1262003
title: Materials Data on CoSeO4 by Materials Project

description: CoSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.99–2.28 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Se–O bond distances ranging from 1.67–1.71 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co2+ and one Se6+ atom.
DOI: 10.17188/1262004
title: Materials Data on USnTe by Materials Project

description: USnTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to four equivalent Sn and five equivalent Te atoms. All U–Sn bond lengths are 3.33 Å. There are four shorter (3.11 Å) and one longer (3.21 Å) U–Te bond lengths. Sn is bonded to four equivalent U and four equivalent Sn atoms to form distorted SnU4Sn4 hexagonal bipyramids that share corners with four equivalent SnU4Sn4 hexagonal bipyramids, corners with twelve equivalent TeU5 trigonal bipyramids, edges with four equivalent SnU4Sn4 hexagonal bipyramids, edges with four equivalent TeU5 trigonal bipyramids, and faces with four equivalent SnU4Sn4 hexagonal bipyramids. All Sn–Sn bond lengths are 3.03 Å. Te is bonded to five equivalent U atoms to form distorted TeU5 trigonal bipyramids that share corners with twelve equivalent SnU4Sn4 hexagonal bipyramids, corners with four equivalent TeU5 trigonal bipyramids, edges with four equivalent SnU4Sn4 hexagonal bipyramids, and edges with eight equivalent TeU5 trigonal bipyramids.