cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1748224
title: Materials Data on Fe12PbO19 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: 10.17188/1748225
title: Materials Data on MgCrN2 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: 10.17188/1748226
title: Materials Data on Cr2NiO4 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: 10.17188/1748227
title: Materials Data on VCr2Mo by Materials Project

description: VMoCr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VMoCr2 ribbons oriented in the (0, 1, 0) direction. V is bonded in a linear geometry to two equivalent Cr atoms. Both V–Cr bond lengths are 2.71 Å. Mo is bonded in a linear geometry to two equivalent Cr atoms. Both Mo–Cr bond lengths are 2.84 Å. Cr is bonded in a linear geometry to one V and one Mo atom.
DOI: 10.17188/1748229
title: Materials Data on Li2Si6Ni2O15 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: 10.17188/1748230
title: Materials Data on Hf2RePd by Materials Project

description: Hf2RePd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2RePd ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Pd atom. The Hf–Re bond length is 2.32 Å. The Hf–Pd bond length is 2.55 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Pd is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1748231
title: Materials Data on Li3FeSiO5 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: 10.17188/1748232
title: Materials Data on CrN2 by Materials Project

description: CrN2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.69–1.80 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.88 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.76 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.66–1.78 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
DOI: 10.17188/1748233
title: Materials Data on Th2ZrUO8 by Materials Project

description: UTh2ZrO8 is Fluorite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. U4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) U–O bond lengths. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.40 Å. In the second Th4+ site, Th4+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Th–O bond lengths are 2.40 Å. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.30 Å) and four longer (2.31 Å) Zr–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Th4+ atoms to form a mixture of corner and edge-sharing OTh4 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Th4+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OTh2Zr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent U4+ and two equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OZr2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent U4+ and two equivalent Th4+ atoms to form a mixture of corner and edge-sharing OTh2U2 tetrahedra.
DOI: 10.17188/1748234
title: Materials Data on Ba2AlTlV2O7 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: 10.17188/1748236
title: Materials Data on TbSiPt2 by Materials Project

description: TbPt2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb4+ is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Si4- atoms. There are two shorter (3.00 Å) and two longer (3.01 Å) Tb–Pt bond lengths. There are a spread of Tb–Si bond distances ranging from 2.99–3.02 Å. Pt is bonded in a 3-coordinate geometry to two equivalent Tb4+ and three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.50–2.63 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tb4+ and six equivalent Pt atoms.
DOI: 10.17188/1748237
title: Materials Data on H2PbCl2O7 by Materials Project

description: PbH2O7Cl2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PbH2O7Cl2 clusters. Pb is bonded in a 3-coordinate geometry to three O atoms. There are one shorter (2.42 Å) and two longer (2.64 Å) Pb–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.51 Å. In the third O site, O is bonded in a distorted water-like geometry to one Pb and two equivalent H atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to one Pb and one Cl atom. The O–Cl bond length is 1.53 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
DOI: 10.17188/1748238
title: Materials Data on Li4Cr3NiO8 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: 10.17188/1748239
title: Materials Data on CoN6(ClO)2 by Materials Project

description: CoN5Cl2NO2 is alpha Niobium phosphide structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four nitrous acid molecules and four CoN5Cl2 clusters. In each CoN5Cl2 cluster, Co2+ is bonded in a single-bond geometry to three N+0.67+ atoms. There is one shorter (1.59 Å) and two longer (1.95 Å) Co–N bond length. There are three inequivalent N+0.67+ sites. In the first N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.51 Å. In the second N+0.67+ site, N+0.67+ is bonded in a 2-coordinate geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the third N+0.67+ site, N+0.67+ is bonded in a single-bond geometry to one Co2+ atom. Cl1- is bonded in a bent 120 degrees geometry to two N+0.67+ atoms.
DOI: 10.17188/1748241
title: Materials Data on Mn7(PbO5)3 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: 10.17188/1748243
title: Materials Data on CsPPbO4 by Materials Project

description: CsPbPO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.28 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, three equivalent Pb2+, and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+, two equivalent Pb2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+, one Pb2+, and one P5+ atom.
DOI: 10.17188/1748244
title: Materials Data on Ca(SO5)2 by Materials Project

description: Ca(SO5)2 crystallizes in the hexagonal P6_4 space group. The structure is three-dimensional. Ca is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.96 Å. S is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.44–1.49 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ca and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one O atom.
DOI: 10.17188/1748246
title: Materials Data on S3N2 by Materials Project

description: N2S3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one N2S3 sheet oriented in the (0, 0, 1) direction. N3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of N–S bond distances ranging from 1.66–1.80 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent N3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent N3+ atoms.
DOI: 10.17188/1748247
title: Materials Data on AsS(NO4)2 by Materials Project

description: N2AsO4SO4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four sulfuric acid molecules, and four AsO4 clusters. In each AsO4 cluster, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one As2+ atom.
DOI: 10.17188/1748249
title: Materials Data on La3Re(ClO2)3 by Materials Project

description: La3Re(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of La–O bond distances ranging from 2.44–2.69 Å. There are a spread of La–Cl bond distances ranging from 2.98–3.10 Å. Re6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.95 Å. O2- is bonded to three equivalent La3+ and one Re6+ atom to form a mixture of distorted corner and edge-sharing OLa3Re tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.
DOI: 10.17188/1748250
title: Materials Data on PdS(NO)3 by Materials Project

description: PdN3SO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfur trioxide molecules and four PdN3 clusters. In each PdN3 cluster, Pd2+ is bonded in a trigonal planar geometry to three N2+ atoms. There are a spread of Pd–N bond distances ranging from 1.77–1.88 Å. There are three inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom. In the second N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom. In the third N2+ site, N2+ is bonded in a single-bond geometry to one Pd2+ atom.
DOI: 10.17188/1748251
title: Materials Data on Cd(PbN)2 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: 10.17188/1748252
title: Materials Data on CuF2 by Materials Project

description: CuF2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuF2 sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.87 Å. F1- is bonded in a linear geometry to two equivalent Cu2+ atoms.
DOI: 10.17188/1748253
title: Materials Data on Mg2Si by Materials Project

description: Mg2Si crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted square co-planar geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.03 Å. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.82 Å. In the third Mg2+ site, Mg2+ is bonded to four Si4- atoms to form corner-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.70–2.76 Å. In the fourth Mg2+ site, Mg2+ is bonded in a bent 120 degrees geometry to two Si4- atoms. Both Mg–Si bond lengths are 2.76 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. The Si–Si bond length is 2.53 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom.
DOI: 10.17188/1748254
title: Materials Data on CsSmBr3 by Materials Project

description: CsSmBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.78–4.21 Å. Sm2+ is bonded to six Br1- atoms to form corner-sharing SmBr6 octahedra. The corner-sharing octahedra tilt angles range from 16–19°. There are four shorter (2.93 Å) and two longer (2.94 Å) Sm–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sm2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent Sm2+ atoms.
DOI: 10.17188/1748255
title: Materials Data on MnH4NF3 by Materials Project

description: NH4MnF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonium molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 11–13°. There are a spread of Mn–F bond distances ranging from 2.14–2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mn2+ atoms.
DOI: 10.17188/1748256
title: Materials Data on Sc2BeOs by Materials Project

description: BeSc2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeSc2Os ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Sc atoms. Both Be–Sc bond lengths are 2.80 Å. Sc is bonded in a linear geometry to one Be and one Os atom. The Sc–Os bond length is 2.24 Å. Os is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1748257
title: Materials Data on K2NdAgF6 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: 10.17188/1748258
title: Materials Data on Cu2Se by Materials Project

description: Cu2Se is Fluorite structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.38 Å) and two longer (2.46 Å) Cu–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.
DOI: 10.17188/1748259
title: Materials Data on Ce2ScSi2 by Materials Project

description: Ce2ScSi2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.11 Å) Ce–Si bond lengths. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.90 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Ce3+, two equivalent Sc2+, and one Si4- atom. The Si–Si bond length is 2.47 Å.
DOI: 10.17188/1748260
title: Materials Data on KCa2(SiO3)8 by Materials Project

description: KCa2(SiO3)8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.85–2.89 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded to six O atoms to form distorted CaO6 octahedra that share corners with four SiO4 tetrahedra and edges with two equivalent CaO6 octahedra. There are four shorter (2.27 Å) and two longer (2.93 Å) Ca–O bond lengths. In the second Ca site, Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent CaO6 octahedra. There are four shorter (2.38 Å) and two longer (2.40 Å) Ca–O bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two CaO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two CaO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one CaO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are thirteen inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.23 Å. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two Ca and one Si atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Ca and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one K and two Si atoms. In the eighth O site, O is bonded in a 2-coordinate geometry to one K and two Si atoms. In the ninth O site, O is bonded in a 2-coordinate geometry to one K and two Si atoms. In the tenth O site, O is bonded in a linear geometry to two Si atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one Si atom.
DOI: 10.17188/1748261
title: Materials Data on LuCuSb2 by Materials Project

description: LuCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.13 Å) and four longer (3.22 Å) Lu–Sb bond lengths. Cu1+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.68 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.01 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1748262
title: Materials Data on CoTc by Materials Project

description: TcCo crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tc3- is bonded to six equivalent Tc3- and six equivalent Co3+ atoms to form a mixture of edge, face, and corner-sharing TcCo6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.66 Å. All Tc–Co bond lengths are 2.57 Å. Co3+ is bonded in a 6-coordinate geometry to six equivalent Tc3- atoms.