cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1697061
title: Materials Data on Eu(Ga4Ir)2 by Materials Project

description: Eu(IrGa4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.15–3.44 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.40–2.76 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.38–2.71 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Eu, two equivalent Ir, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–3.00 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ir and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.79 Å. In the third Ga site, Ga is bonded in a distorted linear geometry to two equivalent Eu, two equivalent Ir, and four equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to three Ir atoms. In the fifth Ga site, Ga is bonded in a distorted linear geometry to two equivalent Eu, two Ir, and four Ga atoms. Both Ga–Ga bond lengths are 2.99 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Ir, and six Ga atoms. There are one shorter (2.64 Å) and one longer (2.92 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Ir, and two Ga atoms. The Ga–Ga bond length is 2.63 Å. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Ir, and three Ga atoms. In the ninth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Ir, and two Ga atoms.
DOI: 10.17188/1697062
title: Materials Data on TbHoCo4 by Materials Project

description: HoTbCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Tb and twelve equivalent Co atoms. All Ho–Tb bond lengths are 3.08 Å. All Ho–Co bond lengths are 2.94 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Ho and twelve equivalent Co atoms. All Tb–Co bond lengths are 2.94 Å. Co is bonded to three equivalent Ho, three equivalent Tb, and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTb3Ho3Co6 cuboctahedra. All Co–Co bond lengths are 2.51 Å.
DOI: 10.17188/1697063
title: Materials Data on NbV by Materials Project

description: NbV is beta Np-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two NbV sheets oriented in the (0, 1, 0) direction. Nb is bonded in a 8-coordinate geometry to four equivalent V atoms. All Nb–V bond lengths are 2.66 Å. V is bonded in a 8-coordinate geometry to four equivalent Nb atoms.
DOI: 10.17188/1697065
title: Materials Data on Mn(BH4)2 by Materials Project

description: Mn(BH4)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Mn(BH4)2 frameworks. Mn2+ is bonded to eight H+0.50+ atoms to form distorted MnH8 hexagonal bipyramids that share edges with four equivalent BH4 tetrahedra. There are four shorter (2.05 Å) and four longer (2.10 Å) Mn–H bond lengths. B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share edges with two equivalent MnH8 hexagonal bipyramids. All B–H bond lengths are 1.23 Å. There are two inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mn2+ and one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Mn2+ and one B3- atom.
DOI: 10.17188/1697066
title: Materials Data on FePH4(NO2)2 by Materials Project

description: FePH4(NO2)2 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Fe3+ is bonded to two equivalent N2- and four O2- atoms to form FeN2O4 octahedra that share corners with four equivalent PO4 tetrahedra. Both Fe–N bond lengths are 2.21 Å. All Fe–O bond lengths are 1.99 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent FeN2O4 octahedra. The corner-sharing octahedra tilt angles range from 31–43°. All P–O bond lengths are 1.55 Å. N2- is bonded in a distorted water-like geometry to one Fe3+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one P5+ atom.
DOI: 10.17188/1697067
title: Materials Data on Li2Mn4O7F 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: 10.17188/1697068
title: Materials Data on Ho2Mn(GeO3)4 by Materials Project

description: Ho2Mn(GeO3)4 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.20 Å) and two longer (2.45 Å) Ho–O bond lengths. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.39 Å) Ho–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent GeO4 tetrahedra. There are four shorter (2.16 Å) and two longer (2.50 Å) Mn–O bond lengths. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent HoO6 octahedra, corners with two equivalent MnO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–70°. There are a spread of Ge–O bond distances ranging from 1.74–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ho3+ and two equivalent Ge4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ho3+, one Mn2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one Ge4+ atom.
DOI: 10.17188/1697069
title: Materials Data on Zr2ScTc by Materials Project

description: ScZr2Tc crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZr2Tc ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Zr atoms. Both Sc–Zr bond lengths are 2.89 Å. Zr is bonded in a linear geometry to one Sc and one Tc atom. The Zr–Tc bond length is 2.24 Å. Tc is bonded in a linear geometry to two equivalent Zr atoms.
DOI: 10.17188/1697070
title: Materials Data on S by Materials Project

description: S crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two S ribbons oriented in the (1, 0, 0) direction. S is bonded in a bent 120 degrees geometry to two equivalent S atoms. Both S–S bond lengths are 2.10 Å.
DOI: 10.17188/1697071
title: Materials Data on Gd(ZnGa)2 by Materials Project

description: GdZn2Ga2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Gd–Zn bond lengths are 3.20 Å. All Gd–Ga bond lengths are 3.39 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Gd, one Zn, and four equivalent Ga atoms. The Zn–Zn bond length is 2.38 Å. All Zn–Ga bond lengths are 2.56 Å. Ga is bonded to four equivalent Gd and four equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing GaGd4Zn4 tetrahedra.
DOI: 10.17188/1697072
title: Materials Data on Tb2P7Rh12 by Materials Project

description: Tb2Rh12P7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb is bonded to six Rh and six P atoms to form distorted TbP6Rh6 cuboctahedra that share corners with twelve RhP4 tetrahedra, edges with three RhP4 tetrahedra, and faces with two equivalent TbP6Rh6 cuboctahedra. All Tb–Rh bond lengths are 3.05 Å. There are three shorter (3.02 Å) and three longer (3.04 Å) Tb–P bond lengths. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent TbP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one TbP6Rh6 cuboctahedra, and edges with two RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.34–2.49 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent TbP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one TbP6Rh6 cuboctahedra, and edges with two RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.34–2.50 Å. In the third Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent TbP6Rh6 cuboctahedra, corners with seven RhP4 tetrahedra, an edgeedge with one TbP6Rh6 cuboctahedra, and edges with two RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.34–2.50 Å. In the fourth Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.34–2.59 Å. In the fifth Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.59 Å. In the sixth Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.58 Å. There are four inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Rh atoms.
DOI: 10.17188/1697073
title: Materials Data on Rb2Li(OsO3)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: 10.17188/1697074
title: Materials Data on Nd2Fe17H3 by Materials Project

description: Nd2Fe17H3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a distorted trigonal planar geometry to four Fe and three equivalent H atoms. There are one shorter (3.03 Å) and three longer (3.32 Å) Nd–Fe bond lengths. All Nd–H bond lengths are 2.51 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Nd and ten Fe atoms to form distorted FeNd2Fe10 cuboctahedra that share corners with four equivalent FeNd2Fe10 cuboctahedra, corners with two equivalent HNd2Fe4 octahedra, faces with four equivalent FeNd2Fe10 cuboctahedra, and faces with four equivalent HNd2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.41–2.65 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one H atom. Both Fe–Fe bond lengths are 2.73 Å. The Fe–H bond length is 1.89 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one H atom. The Fe–Fe bond length is 2.65 Å. The Fe–H bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Nd and thirteen Fe atoms. The Fe–Fe bond length is 2.38 Å. H is bonded to two equivalent Nd and four Fe atoms to form HNd2Fe4 octahedra that share corners with two equivalent FeNd2Fe10 cuboctahedra, corners with four equivalent HNd2Fe4 octahedra, and faces with four equivalent FeNd2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1697076
title: Materials Data on Ca5BC4Cl3 by Materials Project

description: Ca5BC4Cl3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to four equivalent C+2.50- and two equivalent Cl1- atoms. There are two shorter (2.81 Å) and two longer (2.86 Å) Ca–C bond lengths. Both Ca–Cl bond lengths are 2.87 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to four C+2.50- and three Cl1- atoms. There are a spread of Ca–C bond distances ranging from 2.49–2.91 Å. There are a spread of Ca–Cl bond distances ranging from 2.83–3.19 Å. In the third Ca2+ site, Ca2+ is bonded to three C+2.50- and three equivalent Cl1- atoms to form distorted edge-sharing CaC3Cl3 octahedra. There are a spread of Ca–C bond distances ranging from 2.40–2.62 Å. There are a spread of Ca–Cl bond distances ranging from 2.82–3.00 Å. B3+ is bonded in a linear geometry to two equivalent C+2.50- atoms. Both B–C bond lengths are 1.45 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a 1-coordinate geometry to five Ca2+ and one B3+ atom. In the second C+2.50- site, C+2.50- is bonded in a 5-coordinate geometry to four Ca2+ and one C+2.50- atom. The C–C bond length is 1.25 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to five Ca2+ atoms to form distorted edge-sharing ClCa5 square pyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Ca2+ atoms.
DOI: 10.17188/1697077
title: Materials Data on OsXeO3F8 by Materials Project

description: XeOsO3F8 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of eight XeOsO3F8 clusters. Xe is bonded in a 5-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.55 Å. Os is bonded in a distorted octahedral geometry to three O and three F atoms. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are a spread of Os–F bond distances ranging from 2.04–2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Os atom. In the second O site, O is bonded in a single-bond geometry to one Os atom. In the third O site, O is bonded in a single-bond geometry to one Os atom. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a water-like geometry to one Xe and one Os atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Xe and one Os atom. In the fifth F site, F is bonded in a distorted water-like geometry to one Xe and one Os atom. In the sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1697078
title: Materials Data on CaHoO3 by Materials Project

description: CaHoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent HoO6 octahedra. All Ca–O bond lengths are 3.05 Å. Ho is bonded to six equivalent O atoms to form HoO6 octahedra that share corners with six equivalent HoO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–O bond lengths are 2.16 Å. O is bonded in a linear geometry to four equivalent Ca and two equivalent Ho atoms.
DOI: 10.17188/1697079
title: Materials Data on Ce2Ni7 by Materials Project

description: Ce2Ni7 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.79–3.17 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.84–3.29 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ce and six equivalent Ni atoms to form NiCe6Ni6 cuboctahedra that share corners with twelve equivalent NiCe5Ni7 cuboctahedra, edges with six equivalent NiCe6Ni6 cuboctahedra, and faces with eighteen equivalent NiCe5Ni7 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.46–2.83 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ni atoms. There are three shorter (2.46 Å) and three longer (2.47 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded to four equivalent Ce and eight Ni atoms to form NiCe4Ni8 cuboctahedra that share corners with sixteen NiCe5Ni7 cuboctahedra, edges with ten NiCe5Ni7 cuboctahedra, and faces with ten NiCe4Ni8 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded to five Ce and seven Ni atoms to form distorted NiCe5Ni7 cuboctahedra that share corners with seventeen NiCe6Ni6 cuboctahedra, edges with eight NiCe5Ni7 cuboctahedra, and faces with fourteen NiCe6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Ni–Ni bond lengths.
DOI: 10.17188/1697080
title: Materials Data on Eu2CuS3 by Materials Project

description: Eu2CuS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with six equivalent EuS6 octahedra, corners with three equivalent CuS4 tetrahedra, edges with four equivalent EuS6 octahedra, edges with two equivalent EuS7 pentagonal bipyramids, edges with three equivalent CuS4 tetrahedra, and faces with two equivalent EuS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 19–69°. There are a spread of Eu–S bond distances ranging from 2.95–3.24 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with two equivalent EuS6 octahedra, corners with six equivalent EuS7 pentagonal bipyramids, edges with two equivalent EuS6 octahedra, edges with four equivalent EuS7 pentagonal bipyramids, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Eu–S bond distances ranging from 2.81–2.86 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent EuS7 pentagonal bipyramids, corners with two equivalent CuS4 tetrahedra, edges with four equivalent EuS6 octahedra, and edges with three equivalent EuS7 pentagonal bipyramids. There are a spread of Cu–S bond distances ranging from 2.30–2.38 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Eu+2.50+ and one Cu1+ atom. In the second S2- site, S2- is bonded to four Eu+2.50+ and one Cu1+ atom to form distorted SEu4Cu square pyramids that share corners with four equivalent SEu4Cu2 octahedra, edges with three equivalent SEu4Cu2 octahedra, and edges with two equivalent SEu4Cu square pyramids. The corner-sharing octahedra tilt angles range from 49–81°. In the third S2- site, S2- is bonded to four Eu+2.50+ and two equivalent Cu1+ atoms to form distorted SEu4Cu2 octahedra that share corners with two equivalent SEu4Cu2 octahedra, corners with four equivalent SEu4Cu square pyramids, edges with two equivalent SEu4Cu2 octahedra, and edges with three equivalent SEu4Cu square pyramids. The corner-sharing octahedral tilt angles are 7°.
DOI: 10.17188/1697081
title: Materials Data on MnRe3B2 by Materials Project

description: Re3MnB2 is Khatyrkite-derived structured and crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are three inequivalent Re sites. In the first Re site, Re is bonded in a 7-coordinate geometry to one Re, two equivalent Mn, and four B atoms. The Re–Re bond length is 2.62 Å. Both Re–Mn bond lengths are 2.58 Å. There are two shorter (2.33 Å) and two longer (2.35 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 4-coordinate geometry to six Mn and four B atoms. There are four shorter (2.90 Å) and two longer (2.91 Å) Re–Mn bond lengths. All Re–B bond lengths are 2.29 Å. In the third Re site, Re is bonded in a 4-coordinate geometry to two Mn and four B atoms. Both Re–Mn bond lengths are 2.86 Å. There are two shorter (2.35 Å) and two longer (2.36 Å) Re–B bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to ten Re, one Mn, and four B atoms. The Mn–Mn bond length is 2.56 Å. There are two shorter (2.32 Å) and two longer (2.34 Å) Mn–B bond lengths. In the second Mn site, Mn is bonded in a 6-coordinate geometry to ten Re, one Mn, and four B atoms. There are two shorter (2.58 Å) and two longer (2.86 Å) Mn–Re bond lengths. There are two shorter (2.32 Å) and two longer (2.34 Å) Mn–B bond lengths. In the third Mn site, Mn is bonded in a 6-coordinate geometry to ten Re, one Mn, and four B atoms. There are a spread of Mn–Re bond distances ranging from 2.58–2.91 Å. The Mn–Mn bond length is 2.56 Å. There are two shorter (2.32 Å) and two longer (2.34 Å) Mn–B bond lengths. In the fourth Mn site, Mn is bonded in a 6-coordinate geometry to ten Re, one Mn, and four B atoms. There are a spread of Mn–Re bond distances ranging from 2.58–2.91 Å. There are two shorter (2.32 Å) and two longer (2.34 Å) Mn–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 10-coordinate geometry to six Re, two equivalent Mn, and two equivalent B atoms. Both B–B bond lengths are 2.26 Å. In the second B site, B is bonded in a 10-coordinate geometry to six Re, two equivalent Mn, and two equivalent B atoms.