cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1758484
title: Materials Data on Li2Ge3O8 by Materials Project

description: Li2Ge3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four equivalent GeO4 tetrahedra, edges with three LiO6 octahedra, and edges with three equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.18 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent GeO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five LiO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with five LiO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–1.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li and two Ge atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Li and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to one Li and two equivalent Ge atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to two equivalent Li and two Ge atoms.
DOI: 10.17188/1758485
title: Materials Data on Li3H24Ru(ClO2)6 by Materials Project

description: (Li(H2O)4)3RuCl6 is Tungsten Carbide-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ruthenium(6+) hexachloride molecules and four Li(H2O)4 clusters. In each Li(H2O)4 cluster, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form face-sharing LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.16–2.19 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form face-sharing LiO6 octahedra. There are two shorter (2.14 Å) and four longer (2.16 Å) Li–O bond lengths. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Li1+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two Li1+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two Li1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two Li1+ and two H1+ atoms.
DOI: 10.17188/1758486
title: Materials Data on Li(FeO2)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: 10.17188/1758487
title: Materials Data on V2PbN4 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: 10.17188/1758488
title: Materials Data on CsMg6Ga by Materials Project

description: CsMg6Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to twelve Mg and two equivalent Ga atoms. There are a spread of Cs–Mg bond distances ranging from 3.58–4.11 Å. Both Cs–Ga bond lengths are 3.72 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs, five Mg, and two equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.45 Å. Both Mg–Ga bond lengths are 2.92 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Cs and eight Mg atoms. There are two shorter (3.06 Å) and four longer (3.11 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Cs, five Mg, and one Ga atom. The Mg–Mg bond length is 2.89 Å. The Mg–Ga bond length is 2.96 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Cs and six Mg atoms. Ga is bonded in a 8-coordinate geometry to two equivalent Cs and six Mg atoms.
DOI: 10.17188/1758489
title: Materials Data on BaBAsF10 by Materials Project

description: Ba(BF4)(AsF6) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–2.86 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. All B–F bond lengths are 1.41 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.74 Å) and five longer (1.78 Å) As–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom.
DOI: 10.17188/1758490
title: Materials Data on TaCr3(CuS4)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: 10.17188/1758491
title: Materials Data on Er2Br2O by Materials Project

description: Er2OBr2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Er2OBr2 cluster. Er is bonded in a linear geometry to one O and one Br atom. The Er–O bond length is 2.04 Å. The Er–Br bond length is 2.60 Å. O is bonded in a linear geometry to two equivalent Er atoms. Br is bonded in a single-bond geometry to one Er atom.
DOI: 10.17188/1758492
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.06 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five equivalent Mg and three equivalent Si atoms. There are two shorter (2.44 Å) and one longer (2.54 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Mg and four Si atoms. The Si–Si bond length is 2.39 Å.
DOI: 10.17188/1758493
title: Materials Data on Al2CrFe by Materials Project

description: CrFeAl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CrFeAl2 ribbons oriented in the (0, 1, 0) direction. Cr is bonded in a linear geometry to two equivalent Al atoms. Both Cr–Al bond lengths are 2.63 Å. Fe is bonded in a linear geometry to two equivalent Al atoms. Both Fe–Al bond lengths are 2.40 Å. Al is bonded in a linear geometry to one Cr and one Fe atom.
DOI: 10.17188/1758494
title: Materials Data on Na2CuAuF6 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: 10.17188/1758495
title: Materials Data on LaNd(CoO3)2 by Materials Project

description: NdLa(CoO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 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 2.40–2.66 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.42–3.05 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 20–23°. There are a spread of Co–O bond distances ranging from 1.97–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Nd3+, one La3+, and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Nd3+, two equivalent La3+, and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Co3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent La3+ and two equivalent Co3+ atoms.
DOI: 10.17188/1758496
title: Materials Data on Fe2O3F 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: 10.17188/1758497
title: Materials Data on Na4Eu2SnAs4 by Materials Project

description: Na4Eu2SnAs4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Na–As bond distances ranging from 3.06–3.52 Å. In the second Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 trigonal pyramids that share corners with two equivalent SnAs4 tetrahedra, corners with six NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, and an edgeedge with one SnAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.93–3.23 Å. In the third Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 tetrahedra that share corners with two equivalent SnAs4 tetrahedra, corners with six NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, and an edgeedge with one SnAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.91–3.19 Å. In the fourth Na1+ site, Na1+ is bonded to four As3- atoms to form distorted NaAs4 tetrahedra that share corners with two equivalent SnAs4 tetrahedra, corners with four equivalent NaAs4 tetrahedra, corners with four equivalent NaAs4 trigonal pyramids, and an edgeedge with one SnAs4 tetrahedra. There are a spread of Na–As bond distances ranging from 2.98–3.27 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Eu–As bond distances ranging from 3.12–3.39 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Eu–As bond distances ranging from 3.05–3.65 Å. Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with four NaAs4 tetrahedra, corners with two equivalent NaAs4 trigonal pyramids, edges with two NaAs4 tetrahedra, and an edgeedge with one NaAs4 trigonal pyramid. There are a spread of Sn–As bond distances ranging from 2.60–2.68 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Eu2+, and one Sn4+ atom. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four Na1+, three Eu2+, and one Sn4+ atom. In the third As3- site, As3- is bonded in a 6-coordinate geometry to four Na1+, three Eu2+, and one Sn4+ atom. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Sn4+ atom.
DOI: 10.17188/1758498
title: Materials Data on LiFe2OF5 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: 10.17188/1758499
title: Materials Data on Co(SO4)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: 10.17188/1758500
title: Materials Data on Ce4Re6O19 by Materials Project

description: Ce4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–2.54 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Ce3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re+4.33+ atoms.
DOI: 10.17188/1758501
title: Materials Data on TmC6(OF)9 by Materials Project

description: Tm(CO3)3(CF3)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of twelve fluoroform molecules and two Tm(CO3)3 ribbons oriented in the (0, 0, 1) direction. In each Tm(CO3)3 ribbon, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.10–2.73 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tm3+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one O2- atom. The O–O bond length is 1.23 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one O2- atom. The O–O bond length is 1.24 Å. In the eighth O2- site, O2- is bonded in a water-like geometry to one Tm3+ and one O2- atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tm3+ and one C4+ atom.
DOI: 10.17188/1758502
title: Materials Data on Rb2TlBiBr6 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: 10.17188/1758503
title: Materials Data on YbGaPd by Materials Project

description: YbPdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Yb–Pd bond distances ranging from 3.00–3.13 Å. There are a spread of Yb–Ga bond distances ranging from 3.13–3.26 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.60–2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Yb and four equivalent Pd atoms.
DOI: 10.17188/1758504
title: Materials Data on CeAsS by Materials Project

description: CeAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Ce–As bond lengths. There are four shorter (2.86 Å) and one longer (2.91 Å) Ce–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As1- atoms. There are two shorter (2.68 Å) and two longer (2.89 Å) As–As bond lengths. S2- is bonded to five equivalent Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids.
DOI: 10.17188/1758505
title: Materials Data on Mn3(O2F)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: 10.17188/1758506
title: Materials Data on Li4Co5NiO12 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: 10.17188/1758507
title: Materials Data on Na3(CoO2)4 by Materials Project

description: Na3(CoO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent CoO6 octahedra, edges with four NaO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 11–17°. There are a spread of Na–O bond distances ranging from 2.38–2.42 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent CoO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 11–15°. There are two shorter (2.36 Å) and four longer (2.41 Å) Na–O bond lengths. There are three inequivalent Co+3.25+ sites. In the first Co+3.25+ site, Co+3.25+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with four NaO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 11–17°. There are a spread of Co–O bond distances ranging from 1.99–2.08 Å. In the second Co+3.25+ site, Co+3.25+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 11–15°. There are two shorter (2.03 Å) and four longer (2.04 Å) Co–O bond lengths. In the third Co+3.25+ site, Co+3.25+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with six NaO6 octahedra and edges with six CoO6 octahedra. There is two shorter (1.87 Å) and four longer (2.00 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and three Co+3.25+ atoms to form ONa3Co3 octahedra that share corners with six equivalent ONa3Co3 octahedra and edges with twelve ONa2Co3 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two Na1+ and three Co+3.25+ atoms to form ONa2Co3 square pyramids that share corners with nine ONa2Co3 square pyramids, edges with four equivalent ONa3Co3 octahedra, and edges with four ONa2Co3 square pyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Co+3.25+ atoms to form distorted ONa2Co3 square pyramids that share corners with nine ONa2Co3 square pyramids, edges with four equivalent ONa3Co3 octahedra, and edges with four equivalent ONa2Co3 square pyramids.
DOI: 10.17188/1758508
title: Materials Data on NbWSe4 by Materials Project

description: NbSe2WSe2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one NbSe2 sheet oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In the NbSe2 sheet, Nb5+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms. In the WSe2 sheet, W3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.57 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.