cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1754175
title: Materials Data on Na2Nd4NCl9O by Materials Project

description: Na2Nd4NOCl9 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.80–3.08 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.82–3.06 Å. There are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to one N3-, one O2-, and six Cl1- atoms. The Nd–N bond length is 2.31 Å. The Nd–O bond length is 2.36 Å. There are a spread of Nd–Cl bond distances ranging from 2.82–3.18 Å. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to one N3-, one O2-, and five Cl1- atoms. The Nd–N bond length is 2.34 Å. The Nd–O bond length is 2.31 Å. There are a spread of Nd–Cl bond distances ranging from 2.95–3.13 Å. In the third Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to one N3-, one O2-, and five Cl1- atoms. The Nd–N bond length is 2.27 Å. The Nd–O bond length is 2.39 Å. There are a spread of Nd–Cl bond distances ranging from 2.91–3.13 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to one N3-, one O2-, and six Cl1- atoms. The Nd–N bond length is 2.32 Å. The Nd–O bond length is 2.37 Å. There are a spread of Nd–Cl bond distances ranging from 2.84–3.09 Å. N3- is bonded to four Nd3+ atoms to form NNd4 tetrahedra that share edges with two equivalent ONd4 tetrahedra. O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share edges with two equivalent NNd4 tetrahedra. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Na1+ and two Nd3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Na1+ and two Nd3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to two Na1+ and two Nd3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to one Na1+ and three Nd3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to one Na1+ and three Nd3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to two Na1+ and two Nd3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to two Na1+ and two Nd3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nd3+ atoms.
DOI: 10.17188/1754176
title: Materials Data on Rb3RuF12 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: 10.17188/1754177
title: Materials Data on CaSnF4 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: 10.17188/1754178
title: Materials Data on Y6Co2Sn by Materials Project

description: Y6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two Co and two Sn atoms. There are one shorter (2.75 Å) and one longer (3.21 Å) Y–Co bond lengths. There are one shorter (3.09 Å) and one longer (3.35 Å) Y–Sn bond lengths. In the second Y site, Y is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.95 Å) and one longer (3.20 Å) Y–Co bond lengths. There are one shorter (3.26 Å) and one longer (3.68 Å) Y–Sn bond lengths. In the third Y site, Y is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.77 Å) and two longer (2.89 Å) Y–Co bond lengths. The Y–Sn bond length is 3.44 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.69 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.24 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Y atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Y atoms.
DOI: 10.17188/1754179
title: Materials Data on Al2O3 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: 10.17188/1754180
title: Materials Data on Li2VGa3O8 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: 10.17188/1754181
title: Materials Data on TaP3 by Materials Project

description: TaP3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ta5+ is bonded to twelve P+1.67- atoms to form a mixture of corner, edge, and face-sharing TaP12 cuboctahedra. There are four shorter (2.63 Å) and eight longer (2.82 Å) Ta–P bond lengths. There are two inequivalent P+1.67- sites. In the first P+1.67- site, P+1.67- is bonded in a 12-coordinate geometry to four equivalent Ta5+ and eight P+1.67- atoms. There are four shorter (2.63 Å) and four longer (2.82 Å) P–P bond lengths. In the second P+1.67- site, P+1.67- is bonded in a square co-planar geometry to four equivalent Ta5+ and eight equivalent P+1.67- atoms.
DOI: 10.17188/1754182
title: Materials Data on U2B6Os by Materials Project

description: U2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 2-coordinate geometry to three equivalent Os2- and fourteen B1- atoms. There are a spread of U–Os bond distances ranging from 3.03–3.15 Å. There are a spread of U–B bond distances ranging from 2.61–2.76 Å. In the second U4+ site, U4+ is bonded in a 12-coordinate geometry to one U4+, two equivalent Os2-, and twelve B1- atoms. The U–U bond length is 2.51 Å. There are one shorter (3.01 Å) and one longer (3.04 Å) U–Os bond lengths. There are a spread of U–B bond distances ranging from 2.61–2.71 Å. Os2- is bonded in a 10-coordinate geometry to five U4+ and ten B1- atoms. There are a spread of Os–B bond distances ranging from 2.33–2.40 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 3-coordinate geometry to four equivalent U4+, two equivalent Os2-, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.77–1.84 Å. In the second B1- site, B1- is bonded in a 3-coordinate geometry to four U4+, two equivalent Os2-, and three B1- atoms. There is one shorter (1.69 Å) and one longer (1.82 Å) B–B bond length. In the third B1- site, B1- is bonded in a 3-coordinate geometry to four U4+, two equivalent Os2-, and three B1- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 3-coordinate geometry to four U4+, two equivalent Os2-, and three B1- atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four U4+, two equivalent Os2-, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 8-coordinate geometry to six U4+ and two B1- atoms.
DOI: 10.17188/1754183
title: Materials Data on Eu2MnSbO7 by Materials Project

description: Eu2MnSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with six EuO8 hexagonal bipyramids, edges with two equivalent MnO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.25–2.59 Å. In the second Eu3+ site, Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with six EuO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent MnO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with six EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Mn–O bond lengths are 2.00 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, and edges with six EuO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–47°. There are four shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Mn3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, one Mn3+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form corner-sharing OEu4 tetrahedra.
DOI: 10.17188/1754184
title: Materials Data on Fe2AgS3 by Materials Project

description: AgFe2S3 is lead oxide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe+2.50+ sites. In the first Fe+2.50+ site, Fe+2.50+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra, corners with five equivalent AgS4 tetrahedra, and edges with two FeS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.14–2.16 Å. In the second Fe+2.50+ site, Fe+2.50+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with five FeS4 tetrahedra, corners with five equivalent AgS4 tetrahedra, and an edgeedge with one FeS4 tetrahedra. There are a spread of Fe–S bond distances ranging from 2.12–2.17 Å. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and corners with ten FeS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two Fe+2.50+ and two equivalent Ag1+ atoms to form corner-sharing SFe2Ag2 tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Fe+2.50+ and one Ag1+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Fe+2.50+ and one Ag1+ atom.
DOI: 10.17188/1754185
title: Materials Data on Li3MnFe3O8 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: 10.17188/1754186
title: Materials Data on NiP2H26C8S4(NO)2 by Materials Project

description: NiC2P2H4(S2O)2(CH3)4(CH3NH2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen methane molecules, eight methylammonium molecules, and four NiC2P2H4(S2O)2 clusters. In each NiC2P2H4(S2O)2 cluster, Ni2+ is bonded in a square co-planar geometry to four S2- atoms. There are a spread of Ni–S bond distances ranging from 2.33–2.42 Å. There are two inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a distorted water-like geometry to one P5+ and two H1+ atoms. The C–P bond length is 1.83 Å. Both C–H bond lengths are 1.10 Å. In the second C+2.50- site, C+2.50- is bonded in a distorted water-like geometry to one P5+ and two H1+ atoms. The C–P bond length is 1.83 Å. Both C–H bond lengths are 1.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one C+2.50-, two S2-, and one O2- atom. There are one shorter (2.05 Å) and one longer (2.06 Å) P–S bond lengths. The P–O bond length is 1.54 Å. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one C+2.50-, two S2-, and one O2- atom. Both P–S bond lengths are 2.06 Å. The P–O bond length is 1.53 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to one Ni2+ and one P5+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Ni2+ and one P5+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one Ni2+ and one P5+ atom. In the fourth S2- site, S2- is bonded in an L-shaped geometry to one Ni2+ and one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom.
DOI: 10.17188/1754188
title: Materials Data on Li2Mn(SiO3)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: 10.17188/1754189
title: Materials Data on Zr3Rh by Materials Project

description: Zr3Rh crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Rh atoms. Both Zr–Rh bond lengths are 2.81 Å. In the second Zr site, Zr is bonded in a water-like geometry to two equivalent Rh atoms. There are one shorter (2.79 Å) and one longer (2.80 Å) Zr–Rh bond lengths. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Rh atoms. There are a spread of Zr–Rh bond distances ranging from 2.72–2.96 Å. Rh is bonded in a 8-coordinate geometry to eight Zr atoms.
DOI: 10.17188/1754190
title: Materials Data on Sr3Pt2 by Materials Project

description: Sr3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in an octahedral geometry to six equivalent Pt atoms. All Sr–Pt bond lengths are 3.24 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (3.08 Å) and three longer (3.24 Å) Sr–Pt bond lengths. In the third Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Sr–Pt bond distances ranging from 3.15–3.67 Å. Pt is bonded in a 9-coordinate geometry to eight Sr and one Pt atom. The Pt–Pt bond length is 2.92 Å.
DOI: 10.17188/1754191
title: Materials Data on LiCr2P5O16 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: 10.17188/1754192
title: Materials Data on Tm5(GeSb)2 by Materials Project

description: Tm5(GeSb)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to three equivalent Ge and three equivalent Sb atoms to form distorted TmGe3Sb3 pentagonal pyramids that share corners with three equivalent TmGe4Sb2 octahedra, corners with ten equivalent TmGe3Sb3 pentagonal pyramids, edges with seven equivalent TmGe3Sb3 pentagonal pyramids, faces with two equivalent TmGe4Sb2 octahedra, and faces with two equivalent TmGe3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–42°. There are one shorter (2.90 Å) and two longer (3.04 Å) Tm–Ge bond lengths. There are a spread of Tm–Sb bond distances ranging from 3.09–3.15 Å. In the second Tm site, Tm is bonded to four equivalent Ge and two equivalent Sb atoms to form TmGe4Sb2 octahedra that share corners with four equivalent TmGe4Sb2 octahedra, corners with twelve equivalent TmGe3Sb3 pentagonal pyramids, and faces with eight equivalent TmGe3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 48°. There are two shorter (3.02 Å) and two longer (3.04 Å) Tm–Ge bond lengths. Both Tm–Sb bond lengths are 3.07 Å. Ge is bonded in a 8-coordinate geometry to eight Tm atoms. Sb is bonded to seven Tm atoms to form a mixture of distorted corner and edge-sharing SbTm7 pentagonal bipyramids.
DOI: 10.17188/1754193
title: Materials Data on Li2V3CrO8 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: 10.17188/1754194
title: Materials Data on Rb2ErCuCl6 by Materials Project

description: Rb2ErCuCl6 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 ErCl6 octahedra, and faces with four equivalent CuCl6 octahedra. All Rb–Cl bond lengths are 3.66 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.61 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent ErCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.57 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Er3+, and one Cu1+ atom.
DOI: 10.17188/1754195
title: Materials Data on Ta2(CN2)3 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: 10.17188/1754196
title: Materials Data on Mg3Tl by Materials Project

description: Mg3Tl is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Tl atoms to form distorted MgMg8Tl4 cuboctahedra that share corners with four equivalent MgMg8Tl4 cuboctahedra, corners with eight equivalent TlMg12 cuboctahedra, edges with twenty-four MgMg8Tl4 cuboctahedra, faces with six equivalent TlMg12 cuboctahedra, and faces with twelve MgMg8Tl4 cuboctahedra. All Mg–Mg bond lengths are 3.22 Å. All Mg–Tl bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tl atoms to form MgMg8Tl4 cuboctahedra that share corners with twelve equivalent MgMg8Tl4 cuboctahedra, edges with eight equivalent TlMg12 cuboctahedra, edges with sixteen MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with fourteen MgMg8Tl4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–Tl bond lengths are 3.22 Å. Tl is bonded to twelve Mg atoms to form TlMg12 cuboctahedra that share corners with four equivalent TlMg12 cuboctahedra, corners with eight equivalent MgMg8Tl4 cuboctahedra, edges with eight equivalent TlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Tl4 cuboctahedra, faces with four equivalent TlMg12 cuboctahedra, and faces with fourteen MgMg8Tl4 cuboctahedra.
DOI: 10.17188/1754197
title: Materials Data on Mn(PbN)3 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: 10.17188/1754198
title: Materials Data on Li2VCr2O6 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: 10.17188/1754200
title: Materials Data on RhN3Cl6O by Materials Project

description: Rh(NCl3)2NO is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four Rh(NCl3)2 clusters. In each Rh(NCl3)2 cluster, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Rh–Cl bond distances ranging from 2.30–2.62 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.56 Å. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.60 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one Rh3+ and one N+1.67+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Rh3+ and one N+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom.