cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1674766
title: Materials Data on Mg7Si2(H3O7)2 by Materials Project

description: Mg7Si2H6O14 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.47 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two SiO4 tetrahedra, edges with three MgO6 octahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.02–2.23 Å. In the third Mg2+ site, Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are three shorter (2.07 Å) and three longer (2.09 Å) Mg–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There is three shorter (1.66 Å) and one longer (1.68 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra and edges with three equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There is one shorter (1.63 Å) and three longer (1.66 Å) Si–O bond length. There are two 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 0.99 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. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Mg2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Mg2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom.
DOI: 10.17188/1674767
title: Materials Data on Nd2MgPtO6 by Materials Project

description: MgNd2PtO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are a spread of Mg–O bond distances ranging from 2.07–2.10 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.79 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are four shorter (2.05 Å) and two longer (2.06 Å) Pt–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Nd3+, and one Pt4+ atom to form distorted corner-sharing ONd2MgPt tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Nd3+, and one Pt4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Nd3+, and one Pt4+ atom.
DOI: 10.17188/1674769
title: Materials Data on Li2MnF4 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: 10.17188/1674771
title: Materials Data on GdDyNi2 by Materials Project

description: DyGdNi2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–2.95 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–2.94 Å. In the third Dy site, Dy is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–2.95 Å. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.88–2.95 Å. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.87–2.95 Å. In the third Gd site, Gd is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.88–2.95 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to five Dy, two equivalent Gd, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Dy, one Gd, and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to one Dy, six Gd, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.58 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to three Dy, four Gd, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.59 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to four Dy, three Gd, and two equivalent Ni atoms. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Dy, five Gd, and two equivalent Ni atoms.
DOI: 10.17188/1674773
title: Materials Data on MnGeO3 by Materials Project

description: MnGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.17–2.29 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.11–2.43 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with seven MnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Ge–O bond distances ranging from 1.73–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mn2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OMn3Ge trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Mn2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1674774
title: Materials Data on CeMg2Ni by Materials Project

description: CeMg2Ni crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ce atoms. All Mg–Mg bond lengths are 2.98 Å. All Mg–Ce bond lengths are 2.98 Å. In the second Mg site, Mg is bonded to four equivalent Mg and four equivalent Ni atoms to form distorted edge-sharing MgMg4Ni4 tetrahedra. All Mg–Ni bond lengths are 2.98 Å. Ce is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ni atoms. All Ce–Ni bond lengths are 2.98 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ce atoms.
DOI: 10.17188/1674775
title: Materials Data on LiVBO4 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: 10.17188/1674776
title: Materials Data on Li7Co5O12 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: 10.17188/1674777
title: Materials Data on Na3CoO2 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: 10.17188/1674778
title: Materials Data on Sb(Mo3S4)2 by Materials Project

description: SbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+3.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.55 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are two shorter (2.68 Å) and six longer (3.10 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo+3.17+ and one Sb3- atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+3.17+ and one Sb3- atom.
DOI: 10.17188/1674779
title: Materials Data on Ba2MgFe2B2(P2O9)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: 10.17188/1674781
title: Materials Data on NaFeBP2O11 by Materials Project

description: NaFeBP2O11 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.42–2.56 Å. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 2.01–2.04 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All B–O bond lengths are 1.48 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Na atoms. In the third O site, O is bonded in a 3-coordinate geometry to one Na, one Fe, and one P atom. In the fourth O site, O is bonded in a water-like geometry to one Na and one Fe atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one B and one P atom.
DOI: 10.17188/1674782
title: Materials Data on LiNbVO4 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: 10.17188/1674783
title: Materials Data on SmGe2Ir by Materials Project

description: SmIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Sm–Ir bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.31–3.44 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. All Sm–Ir bond lengths are 3.28 Å. There are a spread of Sm–Ge bond distances ranging from 2.99–3.50 Å. Ir is bonded in a 10-coordinate geometry to five Sm and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Sm and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Sm, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.
DOI: 10.17188/1674784
title: Materials Data on Sm3B3O7 by Materials Project

description: Sm3B3O7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded to two B and six O atoms to form a mixture of distorted edge and corner-sharing SmB2O6 hexagonal bipyramids. There are one shorter (2.71 Å) and one longer (2.74 Å) Sm–B bond lengths. There are a spread of Sm–O bond distances ranging from 2.45–2.61 Å. In the second Sm site, Sm is bonded to one B and seven O atoms to form a mixture of distorted edge and corner-sharing SmBO7 hexagonal bipyramids. The Sm–B bond length is 2.76 Å. There are a spread of Sm–O bond distances ranging from 2.21–2.66 Å. In the third Sm site, Sm is bonded to one B and seven O atoms to form distorted SmBO7 hexagonal bipyramids that share corners with two SmB2O6 hexagonal bipyramids and edges with six equivalent SmBO7 hexagonal bipyramids. The Sm–B bond length is 2.73 Å. There are a spread of Sm–O bond distances ranging from 2.21–2.65 Å. There are four inequivalent B sites. In the first B site, B is bonded in a bent 120 degrees geometry to two Sm and two O atoms. Both B–O bond lengths are 1.39 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two equivalent Sm and two equivalent O atoms. Both B–O bond lengths are 1.39 Å. In the third B site, B is bonded in a bent 120 degrees geometry to two equivalent Sm and two equivalent O atoms. Both B–O bond lengths are 1.39 Å. In the fourth B site, B is bonded in a distorted bent 150 degrees geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.32–2.14 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Sm and one B atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Sm and one B atom. In the third O site, O is bonded in a 1-coordinate geometry to three equivalent Sm and one B atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three equivalent Sm and one B atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three equivalent Sm and one B atom. In the sixth O site, O is bonded in a see-saw-like geometry to two Sm and two equivalent B atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to three equivalent Sm and one B atom.
DOI: 10.17188/1674785
title: Materials Data on Lu7(TeRu)2 by Materials Project

description: Lu7(RuTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ru and two equivalent Te atoms. Both Lu–Ru bond lengths are 2.81 Å. Both Lu–Te bond lengths are 3.14 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three Te atoms. All Lu–Te bond lengths are 3.11 Å. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Ru and three Te atoms. Both Lu–Ru bond lengths are 2.78 Å. There are one shorter (3.06 Å) and two longer (3.17 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Ru and one Te atom. There are two shorter (2.78 Å) and one longer (3.02 Å) Lu–Ru bond lengths. The Lu–Te bond length is 3.13 Å. Ru is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms.
DOI: 10.17188/1674787
title: Materials Data on CrSi(Ag3O4)2 by Materials Project

description: CrSi(Ag3O4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.68 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.52 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Ag1+ atoms.
DOI: 10.17188/1674789
title: Materials Data on Cs2Ti(WO4)3 by Materials Project

description: Cs2Ti(WO4)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with three equivalent TiO6 octahedra and corners with nine equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 69–74°. There are three shorter (3.21 Å) and three longer (3.35 Å) Cs–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CsO6 octahedra and corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 37–69°. All Ti–O bond lengths are 1.97 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent WO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 37–74°. There is two shorter (1.90 Å) and four longer (1.96 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Ti4+, and one W6+ atom.
DOI: 10.17188/1674790
title: Materials Data on Np(MoO4)2 by Materials Project

description: Np(MoO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Np–O bond distances ranging from 2.30–2.40 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.79–1.82 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (1.80 Å) Mo–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Np4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Mo6+ atom.
DOI: 10.17188/1674791
title: Materials Data on GaFeRu2 by Materials Project

description: Ru2FeGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ru2FeGa ribbons oriented in the (1, 0, 0) direction. Ru is bonded in a linear geometry to one Fe and one Ga atom. The Ru–Fe bond length is 2.24 Å. The Ru–Ga bond length is 2.38 Å. Fe is bonded in a linear geometry to two equivalent Ru atoms. Ga is bonded in a linear geometry to two equivalent Ru atoms.
DOI: 10.17188/1674792
title: Materials Data on Re3Br7 by Materials Project

description: Re3Br7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Re3Br7 clusters. there are six inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. The Re–Re bond length is 2.31 Å. There are a spread of Re–Br bond distances ranging from 2.48–3.21 Å. In the second Re site, Re is bonded in a 3-coordinate geometry to three Re and four Br atoms. There are a spread of Re–Re bond distances ranging from 2.31–2.73 Å. There are a spread of Re–Br bond distances ranging from 2.48–2.88 Å. In the third Re site, Re is bonded in a 4-coordinate geometry to three Re and four Br atoms. The Re–Re bond length is 2.65 Å. There are a spread of Re–Br bond distances ranging from 2.49–2.78 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to two Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.49–3.24 Å. In the fifth Re site, Re is bonded in a distorted see-saw-like geometry to four Br atoms. There are a spread of Re–Br bond distances ranging from 2.44–2.58 Å. In the sixth Re site, Re is bonded in a 3-coordinate geometry to one Re and four Br atoms. There are a spread of Re–Br bond distances ranging from 2.48–3.19 Å. There are fourteen inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Re atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the third Br site, Br is bonded in a distorted single-bond geometry to three Re atoms. In the fourth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fifth Br site, Br is bonded in a single-bond geometry to one Re atom. In the sixth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the seventh Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the eighth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the ninth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms. In the tenth Br site, Br is bonded in a 1-coordinate geometry to three Re atoms. In the eleventh Br site, Br is bonded in a single-bond geometry to one Re atom. In the twelfth Br site, Br is bonded in a single-bond geometry to one Re atom. In the thirteenth Br site, Br is bonded in a single-bond geometry to one Re atom. In the fourteenth Br site, Br is bonded in a 2-coordinate geometry to two Re atoms.