cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1274664
title: Materials Data on ErRh3C by Materials Project

description: ErRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Rh atoms to form ErRh12 cuboctahedra that share corners with twelve equivalent ErRh12 cuboctahedra, faces with six equivalent ErRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Er–Rh bond lengths are 2.95 Å. Rh is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted edge, corner, and face-sharing RhEr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.09 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent ErRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1274665
title: Materials Data on Er2CoSi2 by Materials Project

description: Er2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.86–3.22 Å. In the second Er3+ site, Er3+ is bonded to six Si4- atoms to form distorted ErSi6 pentagonal pyramids that share corners with four equivalent ErSi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent ErSi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one ErSi6 pentagonal pyramid. There are a spread of Er–Si bond distances ranging from 2.83–3.07 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent ErSi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent ErSi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.34–2.47 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Er3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.55 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Er3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.70 Å.
DOI: 10.17188/1274666
title: Materials Data on Nd2Fe14C by Materials Project

description: Nd2Fe14C crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to ten Fe and one C atom. There are a spread of Nd–Fe bond distances ranging from 2.52–3.27 Å. The Nd–C bond length is 2.47 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to sixteen Fe atoms. There are a spread of Nd–Fe bond distances ranging from 3.00–3.43 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to four Nd and eight Fe atoms to form FeNd4Fe8 cuboctahedra that share corners with four equivalent FeNd4Fe8 cuboctahedra and faces with two equivalent CNdFe4 square pyramids. There are four shorter (2.52 Å) and four longer (2.56 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two Nd and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.77 Å. In the third Fe site, Fe is bonded in a single-bond geometry to one Nd, seven Fe, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.35–2.95 Å. The Fe–C bond length is 1.95 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to one Nd and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.17–2.70 Å. In the fifth Fe site, Fe is bonded in a 11-coordinate geometry to two Nd and twelve Fe atoms. The Fe–Fe bond length is 3.00 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to four Nd and four Fe atoms. C is bonded to one Nd and four equivalent Fe atoms to form distorted CNdFe4 square pyramids that share faces with two equivalent FeNd4Fe8 cuboctahedra.
DOI: 10.17188/1274667
title: Materials Data on Ge4Te7As2 by Materials Project

description: Ge4As2Te7 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ge4As2Te7 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent AsTe6 octahedra, edges with three equivalent AsTe6 octahedra, and edges with nine GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. There are three shorter (2.94 Å) and three longer (3.05 Å) Ge–Te bond lengths. In the second Ge4+ site, Ge4+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (2.97 Å) and three longer (3.00 Å) Ge–Te bond lengths. As1- is bonded to six Te2- atoms to form AsTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent AsTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.84 Å) and three longer (3.08 Å) As–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent As1- atoms. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent As1- atoms to form a mixture of edge and corner-sharing TeGe3As3 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form a mixture of edge and corner-sharing TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth Te2- site, Te2- is bonded to six Ge4+ atoms to form a mixture of edge and corner-sharing TeGe6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°.
DOI: 10.17188/1274668
title: Materials Data on SiC by Materials Project

description: SiC is Moissanite-6H-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. In the second Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fourth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fourth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. All C–Si bond lengths are 1.90 Å.
DOI: 10.17188/1274669
title: Materials Data on GdWClO4 (SG:12) 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: 10.17188/1274670
title: Materials Data on HgI2 by Materials Project

description: HgI2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are three shorter (2.87 Å) and one longer (2.88 Å) Hg–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.
DOI: 10.17188/1274671
title: Materials Data on Ba2Cd3Bi4 by Materials Project

description: Ba2Cd3Bi4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to two equivalent Cd and eight Bi atoms. Both Ba–Cd bond lengths are 3.75 Å. There are a spread of Ba–Bi bond distances ranging from 3.71–3.85 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to two equivalent Ba and five Bi atoms. There are a spread of Cd–Bi bond distances ranging from 3.00–3.41 Å. In the second Cd site, Cd is bonded in a 6-coordinate geometry to six Bi atoms. There are four shorter (3.10 Å) and two longer (3.33 Å) Cd–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Ba and five Cd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to four equivalent Ba and three Cd atoms.
DOI: 10.17188/1274672
title: Materials Data on Rb2Te by Materials Project

description: Rb2Te crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 octahedra that share corners with twelve equivalent RbTe6 octahedra, corners with twelve equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe6 octahedra, faces with two equivalent RbTe6 octahedra, and faces with six equivalent RbTe5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Rb–Te bond distances ranging from 4.02–4.21 Å. In the second Rb1+ site, Rb1+ is bonded to five equivalent Te2- atoms to form distorted RbTe5 trigonal bipyramids that share corners with twelve equivalent RbTe6 octahedra, corners with eight equivalent RbTe5 trigonal bipyramids, edges with six equivalent RbTe5 trigonal bipyramids, and faces with six equivalent RbTe6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. There are a spread of Rb–Te bond distances ranging from 3.55–4.13 Å. Te2- is bonded in a 11-coordinate geometry to eleven Rb1+ atoms.
DOI: 10.17188/1274673
title: Materials Data on Bi2Pd by Materials Project

description: PdBi2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two PdBi2 sheets oriented in the (1, 0, 0) direction. Pd is bonded in a 9-coordinate geometry to two equivalent Pd and seven Bi atoms. Both Pd–Pd bond lengths are 2.89 Å. There are a spread of Pd–Bi bond distances ranging from 2.89–3.10 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pd atoms. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Pd atoms.
DOI: 10.17188/1274674
title: Materials Data on K(NiSe)2 by Materials Project

description: KNi2Se2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.40 Å. Ni+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing NiSe4 tetrahedra. All Ni–Se bond lengths are 2.39 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Ni+1.50+ atoms.
DOI: 10.17188/1274675
title: Materials Data on Fe2B by Materials Project

description: Fe2B crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent B atoms. All Fe–B bond lengths are 2.15 Å. B is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1274676
title: Materials Data on Ca3SiBr2 by Materials Project

description: Ca3SiBr2 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ca3SiBr2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six Br1- atoms to form CaBr6 octahedra that share corners with three equivalent CaSi3Br tetrahedra and edges with six equivalent CaBr6 octahedra. There are a spread of Ca–Br bond distances ranging from 2.98–3.03 Å. In the second Ca2+ site, Ca2+ is bonded to three equivalent Si4- and one Br1- atom to form CaSi3Br tetrahedra that share corners with three equivalent CaBr6 octahedra and corners with six equivalent CaSi3Br tetrahedra. The corner-sharing octahedra tilt angles range from 56–72°. All Ca–Si bond lengths are 2.93 Å. The Ca–Br bond length is 3.47 Å. In the third Ca2+ site, Ca2+ is bonded in a trigonal non-coplanar geometry to three equivalent Si4- atoms. There are two shorter (2.91 Å) and one longer (2.92 Å) Ca–Si bond lengths. Si4- is bonded to six Ca2+ atoms to form distorted SiCa6 octahedra that share corners with three equivalent BrCa4 tetrahedra and edges with six equivalent SiCa6 octahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Ca2+ atoms to form distorted BrCa4 tetrahedra that share corners with three equivalent SiCa6 octahedra and corners with six equivalent BrCa4 tetrahedra. The corner-sharing octahedra tilt angles range from 59–76°. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1274677
title: Materials Data on TcBr3 by Materials Project

description: TcBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (1, 0, 0) direction. Tc3+ is bonded to six Br1- atoms to form face-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.53–2.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms.
DOI: 10.17188/1274678
title: Materials Data on Hg6MoAs4Cl7 by Materials Project

description: MoHg6As4Cl7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mo6+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Mo–Cl bond lengths are 2.45 Å. Hg2+ is bonded in a 7-coordinate geometry to two As+2.75- and five Cl1- atoms. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–Cl bond distances ranging from 3.21–3.51 Å. There are two inequivalent As+2.75- sites. In the first As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.49 Å. In the second As+2.75- site, As+2.75- is bonded to three equivalent Hg2+ and one As+2.75- atom to form corner-sharing AsHg3As tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Mo6+ and four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.
DOI: 10.17188/1274679
title: Materials Data on BiBr by Materials Project

description: BiBiBr2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of eight bismuth molecules and eight BiBr2 ribbons oriented in the (0, 1, 0) direction. In each BiBr2 ribbon, Bi1+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Bi–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms.
DOI: 10.17188/1274680
title: Materials Data on NaNd4I7N2 by Materials Project

description: NaNd4N2I7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six I1- atoms. There are a spread of Na–I bond distances ranging from 3.07–3.48 Å. There are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Nd–N bond lengths are 2.32 Å. There are a spread of Nd–I bond distances ranging from 3.13–3.41 Å. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Nd–N bond lengths are 2.34 Å. There are a spread of Nd–I bond distances ranging from 3.21–3.74 Å. In the third Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. Both Nd–N bond lengths are 2.31 Å. There are a spread of Nd–I bond distances ranging from 3.16–3.43 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to two N3- and four I1- atoms. There are one shorter (2.33 Å) and one longer (2.34 Å) Nd–N bond lengths. There are a spread of Nd–I bond distances ranging from 3.22–3.77 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Nd3+ atoms to form edge-sharing NNd4 tetrahedra. In the second N3- site, N3- is bonded to four Nd3+ atoms to form edge-sharing NNd4 tetrahedra. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Nd3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to one Na1+ and three Nd3+ atoms. In the third I1- site, I1- is bonded in a distorted T-shaped geometry to one Na1+ and two Nd3+ atoms. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Nd3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and two Nd3+ atoms. In the sixth I1- site, I1- is bonded in a 2-coordinate geometry to two Nd3+ atoms. In the seventh I1- site, I1- is bonded in a 3-coordinate geometry to one Na1+ and three Nd3+ atoms.
DOI: 10.17188/1274681
title: Materials Data on AgTe by Materials Project

description: AgTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three Ag1+ and four Te1- atoms. There are a spread of Ag–Ag bond distances ranging from 3.01–3.09 Å. There are a spread of Ag–Te bond distances ranging from 2.83–3.14 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and four Te1- atoms. There are a spread of Ag–Te bond distances ranging from 2.83–3.23 Å. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te1- atoms. There are a spread of Ag–Te bond distances ranging from 2.87–2.98 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to four Ag1+ and one Te1- atom. The Te–Te bond length is 2.90 Å. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Ag1+ and two equivalent Te1- atoms. In the third Te1- site, Te1- is bonded in a 7-coordinate geometry to seven Ag1+ atoms.
DOI: 10.17188/1274683
title: Materials Data on Yb2(CN2)3 by Materials Project

description: Yb2(CN2)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent N3- atoms to form edge-sharing YbN6 octahedra. There are three shorter (2.41 Å) and three longer (2.43 Å) Yb–N bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one C4+ atom.
DOI: 10.17188/1274684
title: Materials Data on LaCo2 by Materials Project

description: LaCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All La–Co bond lengths are 3.05 Å. Co is bonded to six equivalent La and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoLa6Co6 cuboctahedra. All Co–Co bond lengths are 2.60 Å.
DOI: 10.17188/1274685
title: Materials Data on Sr3(B3Rh4)2 by Materials Project

description: Sr3(Rh4B3)2 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to one Sr, ten Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.16 Å. There are a spread of Sr–Rh bond distances ranging from 3.10–3.35 Å. There are two shorter (3.03 Å) and four longer (3.27 Å) Sr–B bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two Sr, twelve Rh, and six equivalent B atoms. The Sr–Sr bond length is 3.16 Å. There are four shorter (3.18 Å) and eight longer (3.22 Å) Sr–Rh bond lengths. There are four shorter (3.26 Å) and two longer (3.37 Å) Sr–B bond lengths. In the third Sr site, Sr is bonded in a 6-coordinate geometry to one Sr, ten Rh, and six equivalent B atoms. There are a spread of Sr–Rh bond distances ranging from 3.10–3.35 Å. There are two shorter (3.03 Å) and four longer (3.27 Å) Sr–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. All Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four Sr and four B atoms. There are two shorter (2.18 Å) and two longer (2.23 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to three equivalent Sr and five Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are four shorter (2.20 Å) and two longer (2.23 Å) B–Rh bond lengths. In the third B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.26 Å) and one longer (3.37 Å) B–Sr bond lengths. In the fourth B site, B is bonded in a 6-coordinate geometry to three equivalent Sr and six Rh atoms. There are two shorter (3.26 Å) and one longer (3.37 Å) B–Sr bond lengths.