cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1705878
title: Materials Data on Rb2GaHgCl6 by Materials Project

description: Rb2HgGaCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.73 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.84 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Rb1+, one Hg1+, and one Ga3+ atom.
DOI: 10.17188/1705880
title: Materials Data on B by Materials Project

description: B crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are four inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.70–2.06 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.70–1.91 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is four shorter (1.79 Å) and one longer (1.81 Å) B–B bond length. In the fourth B site, B is bonded in a 5-coordinate geometry to five B atoms.
DOI: 10.17188/1705881
title: Materials Data on Pr5As2ClO10 by Materials Project

description: Pr5As2O10Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.56 Å) Pr–O bond lengths. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Pr–O bond distances ranging from 2.38–2.57 Å. The Pr–Cl bond length is 3.48 Å. In the third Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.33–2.62 Å. Both Pr–Cl bond lengths are 3.47 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.79 Å) and two longer (1.83 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pr3+ atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pr3+, one As3+, and two equivalent Cl1- atoms. Both O–Cl bond lengths are 3.31 Å. In the third O2- site, O2- is bonded to three Pr3+ and one As3+ atom to form a mixture of distorted corner and edge-sharing OPr3As tetrahedra. Cl1- is bonded in a 10-coordinate geometry to six Pr3+ and four equivalent O2- atoms.
DOI: 10.17188/1705882
title: Materials Data on NbMoC2 by Materials Project

description: NbMoC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent C4- atoms to form NbC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.24 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent NbC6 octahedra, edges with six equivalent NbC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Nb5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CNb3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1705883
title: Materials Data on HoAlCo by Materials Project

description: HoCoAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ho, five Co, and seven Al atoms. There are two shorter (3.25 Å) and one longer (3.26 Å) Ho–Ho bond lengths. There are three shorter (2.89 Å) and two longer (3.19 Å) Ho–Co bond lengths. There are a spread of Ho–Al bond distances ranging from 3.13–3.17 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four Ho, seven Co, and five Al atoms. The Ho–Ho bond length is 2.92 Å. There are a spread of Ho–Co bond distances ranging from 2.99–3.11 Å. There are a spread of Ho–Al bond distances ranging from 3.01–3.17 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six Ho and six Al atoms to form CoHo6Al6 cuboctahedra that share corners with four equivalent CoHo6Al6 cuboctahedra, corners with four equivalent AlHo6Al2Co4 cuboctahedra, edges with two equivalent CoHo6Al6 cuboctahedra, and faces with fourteen AlHo6Al2Co4 cuboctahedra. There are a spread of Co–Al bond distances ranging from 2.62–2.71 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ho, four Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.54–2.81 Å. Both Co–Al bond lengths are 2.51 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to six Ho, four equivalent Co, and two equivalent Al atoms. Both Co–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Ho, four Co, and two equivalent Al atoms to form distorted AlHo6Al2Co4 cuboctahedra that share corners with two equivalent CoHo6Al6 cuboctahedra, corners with four equivalent AlHo6Al4Co2 cuboctahedra, edges with six equivalent AlHo6Al2Co4 cuboctahedra, faces with three equivalent CoHo6Al6 cuboctahedra, and faces with eight AlHo6Al2Co4 cuboctahedra. Both Al–Al bond lengths are 2.77 Å. In the second Al site, Al is bonded to six Ho, two equivalent Co, and four Al atoms to form distorted AlHo6Al4Co2 cuboctahedra that share corners with eight AlHo6Al2Co4 cuboctahedra, edges with two equivalent AlHo6Al4Co2 cuboctahedra, faces with four equivalent CoHo6Al6 cuboctahedra, and faces with ten AlHo6Al2Co4 cuboctahedra. There are one shorter (2.66 Å) and one longer (2.73 Å) Al–Al bond lengths.
DOI: 10.17188/1705884
title: Materials Data on Yb2Se3O20 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: 10.17188/1705885
title: Materials Data on Mn4Be3Ge3SeO12 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: 10.17188/1705888
title: Materials Data on Li3TiN2 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: 10.17188/1705889
title: Materials Data on Lu5Pt3 by Materials Project

description: Lu5Pt3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Pt atoms. All Lu–Pt bond lengths are 2.96 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Lu–Pt bond distances ranging from 2.88–3.24 Å. Pt is bonded in a 9-coordinate geometry to nine Lu atoms.
DOI: 10.17188/1705890
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one CeSe2 sheet oriented in the (0, 0, 1) direction. Ce4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing CeSe6 pentagonal pyramids. All Ce–Se bond lengths are 2.89 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ce4+ atoms.
DOI: 10.17188/1705892
title: Materials Data on K2MoSO3 by Materials Project

description: K2MoSO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent S2- and six O2- atoms. There are one shorter (3.17 Å) and one longer (3.18 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.79–3.27 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to three equivalent S2- and six O2- atoms. There are two shorter (3.33 Å) and one longer (3.63 Å) K–S bond lengths. There are a spread of K–O bond distances ranging from 2.84–3.26 Å. Mo6+ is bonded in a distorted tetrahedral geometry to one S2- and three O2- atoms. The Mo–S bond length is 2.26 Å. There is one shorter (1.78 Å) and two longer (1.79 Å) Mo–O bond length. S2- is bonded in a 6-coordinate geometry to five K1+ and one Mo6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Mo6+ atom.
DOI: 10.17188/1705893
title: Materials Data on Ge3Te3Ir2 by Materials Project

description: Ir2Ge3Te3 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four Ge and two equivalent Te atoms to form IrGe4Te2 octahedra that share corners with six IrGe4Te2 octahedra, corners with four equivalent GeGe2Ir2 tetrahedra, and corners with four equivalent TeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.50 Å) and two longer (2.64 Å) Ir–Ge bond lengths. Both Ir–Te bond lengths are 2.54 Å. In the second Ir site, Ir is bonded to two equivalent Ge and four Te atoms to form IrGe2Te4 octahedra that share corners with six IrGe4Te2 octahedra and corners with eight GeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. Both Ir–Ge bond lengths are 2.65 Å. There are two shorter (2.55 Å) and two longer (2.65 Å) Ir–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to two Ir and two equivalent Ge atoms to form distorted GeGe2Ir2 tetrahedra that share corners with four IrGe4Te2 octahedra, corners with two equivalent TeGe2Ir2 tetrahedra, corners with four GeGe2Ir2 tetrahedra, and an edgeedge with one GeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are one shorter (2.57 Å) and one longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to two equivalent Ir and two equivalent Te atoms to form distorted GeTe2Ir2 tetrahedra that share corners with four equivalent IrGe2Te4 octahedra, corners with six GeGe2Ir2 tetrahedra, and an edgeedge with one GeTe2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are one shorter (2.82 Å) and one longer (2.89 Å) Ge–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to two equivalent Ir and two equivalent Ge atoms to form TeGe2Ir2 tetrahedra that share corners with four equivalent IrGe4Te2 octahedra, corners with two equivalent TeGe2Ir2 tetrahedra, corners with four equivalent GeGe2Ir2 tetrahedra, and an edgeedge with one TeGe2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 70–72°. In the second Te site, Te is bonded in a 2-coordinate geometry to two Ir and two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.13 Å) Te–Te bond lengths.
DOI: 10.17188/1705894
title: Materials Data on AcFeO3 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: 10.17188/1705895
title: Materials Data on YbTi2O5F by Materials Project

description: YbTi2O5F crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.53 Å. Both Yb–F bond lengths are 2.37 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.33–2.52 Å. Both Yb–F bond lengths are 2.30 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Ti–O bond distances ranging from 1.79–2.21 Å. In the second Ti4+ site, Ti4+ is bonded to five O2- and one F1- atom to form TiO5F octahedra that share corners with four TiO5F octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Ti–O bond distances ranging from 1.87–2.08 Å. The Ti–F bond length is 2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Yb3+ and two Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. F1- is bonded in a 3-coordinate geometry to two Yb3+ and one Ti4+ atom.
DOI: 10.17188/1705896
title: Materials Data on Zn9Fe15O32 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: 10.17188/1705897
title: Materials Data on Sn3P2(NO5)2 by Materials Project

description: Sn3P2O9N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydroxylamine, o-amino- molecules and two Sn3P2O9 sheets oriented in the (0, 1, 0) direction. In each Sn3P2O9 sheet, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with three PO4 tetrahedra and edges with two equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.21–2.38 Å. In the second Sn4+ site, Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with four PO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, an edgeedge with one SnO5 trigonal bipyramid, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.04–2.36 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and a cornercorner with one SnO4 trigonal pyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and corners with two equivalent SnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom.
DOI: 10.17188/1705898
title: Materials Data on Li7V7(P4O17)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: 10.17188/1705899
title: Materials Data on LiVP2O7 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: 10.17188/1705900
title: Materials Data on LiLaAu2 by Materials Project

description: LiLaAu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiLaAu2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Au atoms. Both Li–Au bond lengths are 2.60 Å. La is bonded in a linear geometry to two equivalent Au atoms. Both La–Au bond lengths are 2.85 Å. Au is bonded in a linear geometry to one Li and one La atom.
DOI: 10.17188/1705901
title: Materials Data on TiB2Mo by Materials Project

description: TiMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ti–B bond distances ranging from 2.34–2.48 Å. Mo2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.50 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ti4+, three equivalent Mo2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.84 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ti4+, four equivalent Mo2+, and two equivalent B3- atoms.
DOI: 10.17188/1705902
title: Materials Data on SmHfO14 by Materials Project

description: SmHfO14 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded to sixteen O atoms to form SmO16 tetrahedra that share corners with four equivalent SmO16 tetrahedra and faces with four equivalent HfO12 cuboctahedra. There are four shorter (2.32 Å) and twelve longer (2.89 Å) Sm–O bond lengths. Hf is bonded to twelve equivalent O atoms to form HfO12 cuboctahedra that share faces with four equivalent SmO16 tetrahedra. All Hf–O bond lengths are 2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Sm, one Hf, and four equivalent O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) O–O bond length. In the second O site, O is bonded in a linear geometry to two equivalent Sm atoms.
DOI: 10.17188/1705903
title: Materials Data on Pr2As3Au by Materials Project

description: (PrAs)2AuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, one gold molecule, and two praseodymium arsenide molecules.
DOI: 10.17188/1705904
title: Materials Data on HoC8N4Cl7 by Materials Project

description: HoC4N2Cl5(ClCCN)2 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of four chloromethyl(methylidyne)azanium molecules and two HoC4N2Cl5 ribbons oriented in the (0, 1, 0) direction. In each HoC4N2Cl5 ribbon, Ho3+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (2.45 Å) and two longer (2.62 Å) Ho–Cl bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a water-like geometry to one N3- and one Cl1- atom. The C–N bond length is 1.25 Å. The C–Cl bond length is 2.22 Å. In the second C2+ site, C2+ is bonded in a bent 120 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.26 Å. The C–Cl bond length is 1.97 Å. N3- is bonded in a linear geometry to two C2+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ho3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent C2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Ho3+ and one C2+ atom.
DOI: 10.17188/1705905
title: Materials Data on CaLaCrMoO6 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: 10.17188/1705906
title: Materials Data on USnRh by Materials Project

description: URhSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 11-coordinate geometry to five Rh and six Sn atoms. There are four shorter (3.01 Å) and one longer (3.08 Å) U–Rh bond lengths. There are two shorter (3.17 Å) and four longer (3.37 Å) U–Sn bond lengths. In the second U site, U is bonded in a 11-coordinate geometry to five Rh and six Sn atoms. There are a spread of U–Rh bond distances ranging from 3.00–3.09 Å. There are a spread of U–Sn bond distances ranging from 3.17–3.38 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six U and three Sn atoms. All Rh–Sn bond lengths are 2.80 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three U and six Sn atoms. All Rh–Sn bond lengths are 2.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six U, four Rh, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.21 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six U, four Rh, and one Sn atom.