cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1652221
title: Materials Data on SrAl2(SiO4)2 by Materials Project

description: SrAl2Si2O8 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent O2- atoms to form SrO6 octahedra that share corners with six equivalent AlO4 tetrahedra and corners with six equivalent SiO4 tetrahedra. All Sr–O bond lengths are 2.63 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent SrO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There is one shorter (1.71 Å) and three longer (1.78 Å) Al–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SrO6 octahedra and corners with four equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is one shorter (1.60 Å) and three longer (1.65 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1652222
title: Materials Data on Ta2MnV by Materials Project

description: Ta2VMn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2VMn ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one V and one Mn atom. The Ta–V bond length is 2.33 Å. The Ta–Mn bond length is 2.15 Å. V is bonded in a linear geometry to two equivalent Ta atoms. Mn is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1652223
title: Materials Data on VOF3 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: 10.17188/1652224
title: Materials Data on CeCuGe by Materials Project

description: CeCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing CeCu6Ge6 cuboctahedra. All Ce–Cu bond lengths are 3.16 Å. All Ce–Ge bond lengths are 3.16 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Cu atoms.
DOI: 10.17188/1652225
title: Materials Data on ZrSn by Materials Project

description: ZrSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.01–3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Zr and five Sn atoms. The Zr–Zr bond length is 3.06 Å. There are a spread of Zr–Sn bond distances ranging from 2.92–3.19 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to two equivalent Zr and ten Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.03–3.49 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to seven Zr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.27 Å. In the second Sn site, Sn is bonded in a 7-coordinate geometry to seven Zr and two equivalent Sn atoms. There are one shorter (3.14 Å) and one longer (3.34 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Zr and eight Sn atoms.
DOI: 10.17188/1652226
title: Materials Data on NaAl2Sb by Materials Project

description: NaAl2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to six equivalent Al and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing NaAl6Sb6 cuboctahedra. All Na–Al bond lengths are 3.05 Å. All Na–Sb bond lengths are 3.66 Å. Al is bonded in a distorted body-centered cubic geometry to three equivalent Na, one Al, and four equivalent Sb atoms. The Al–Al bond length is 2.75 Å. There are one shorter (2.95 Å) and three longer (3.25 Å) Al–Sb bond lengths. Sb is bonded in a 2-coordinate geometry to six equivalent Na and eight equivalent Al atoms.
DOI: 10.17188/1652227
title: Materials Data on H11C4Br2N by Materials Project

description: C4NH11BrBr is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ac1l8ua7 molecules and four hydrobromic acid molecules.
DOI: 10.17188/1652228
title: Materials Data on Zn(Br2N)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: 10.17188/1652229
title: Materials Data on Ho2Mn3Sb3O14 by Materials Project

description: Ho2Mn3Sb3O14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to eight O2- atoms to form distorted HoO8 hexagonal bipyramids that share edges with six SbO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.23–2.51 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.27–2.54 Å. There are two inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.22–2.57 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are two shorter (1.95 Å) and four longer (2.08 Å) Mn–O bond lengths. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–49°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four SbO6 octahedra, and edges with two equivalent HoO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–52°. There is two shorter (1.95 Å) and four longer (2.02 Å) Sb–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent Mn+2.33+ atoms to form corner-sharing OHo2Mn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mn+2.33+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ho3+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, two Mn+2.33+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Ho3+, one Mn+2.33+, and two Sb5+ atoms.
DOI: 10.17188/1652230
title: Materials Data on TiMn5(PO4)6 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: 10.17188/1652233
title: Materials Data on Li(CrS2)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: 10.17188/1652234
title: Materials Data on Tb8Rh5C12 by Materials Project

description: Tb8Rh5C12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 5-coordinate geometry to nine C+3.33- atoms. There are a spread of Tb–C bond distances ranging from 2.43–2.81 Å. In the second Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine C+3.33- atoms. There are a spread of Tb–C bond distances ranging from 2.36–2.95 Å. In the third Tb3+ site, Tb3+ is bonded to six C+3.33- atoms to form TbC6 octahedra that share corners with four CTb5C octahedra and faces with two equivalent TbC6 octahedra. The corner-sharing octahedra tilt angles range from 43–105°. There are four shorter (2.60 Å) and two longer (2.68 Å) Tb–C bond lengths. In the fourth Tb3+ site, Tb3+ is bonded in a 2-coordinate geometry to four C+3.33- atoms. There are two shorter (2.66 Å) and two longer (2.97 Å) Tb–C bond lengths. There are three inequivalent Rh+3.20+ sites. In the first Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two equivalent C+3.33- atoms. Both Rh–C bond lengths are 1.97 Å. In the second Rh+3.20+ site, Rh+3.20+ is bonded in a linear geometry to two C+3.33- atoms. Both Rh–C bond lengths are 2.01 Å. In the third Rh+3.20+ site, Rh+3.20+ is bonded in a water-like geometry to two C+3.33- atoms. There are one shorter (2.11 Å) and one longer (2.28 Å) Rh–C bond lengths. There are six inequivalent C+3.33- sites. In the first C+3.33- site, C+3.33- is bonded to five Tb3+ and one C+3.33- atom to form a mixture of distorted edge and corner-sharing CTb5C octahedra. The corner-sharing octahedra tilt angles range from 7–15°. The C–C bond length is 1.34 Å. In the second C+3.33- site, C+3.33- is bonded in a 4-coordinate geometry to six Tb3+, one Rh+3.20+, and one C+3.33- atom. The C–C bond length is 1.35 Å. In the third C+3.33- site, C+3.33- is bonded to five Tb3+ and one C+3.33- atom to form CTb5C octahedra that share corners with two equivalent TbC6 octahedra, corners with four equivalent CTb5C octahedra, and edges with eight CTb5C octahedra. The corner-sharing octahedra tilt angles range from 7–43°. In the fourth C+3.33- site, C+3.33- is bonded to four Tb3+, one Rh+3.20+, and one C+3.33- atom to form CTb4RhC octahedra that share a cornercorner with one CTb4RhC octahedra, corners with two equivalent TbC6 octahedra, and edges with two equivalent CTb4RhC octahedra. The corner-sharing octahedra tilt angles range from 0–105°. The C–C bond length is 1.30 Å. In the fifth C+3.33- site, C+3.33- is bonded in a 6-coordinate geometry to four Tb3+, one Rh+3.20+, and one C+3.33- atom. In the sixth C+3.33- site, C+3.33- is bonded in a 7-coordinate geometry to four Tb3+, two Rh+3.20+, and one C+3.33- atom.
DOI: 10.17188/1652235
title: Materials Data on Cs3LaBr6 by Materials Project

description: Cs3LaBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.53–4.25 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–4.32 Å. In the third Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.65–4.12 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of La–Br bond distances ranging from 2.94–2.97 Å. In the second La3+ site, La3+ is bonded in an octahedral geometry to six Br1- atoms. There are a spread of La–Br bond distances ranging from 2.92–2.99 Å. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Cs1+ and one La3+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to five Cs1+ and one La3+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one La3+ atom. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one La3+ atom. In the fifth Br1- site, Br1- is bonded in a 5-coordinate geometry to four Cs1+ and one La3+ atom. In the sixth Br1- site, Br1- is bonded in a 5-coordinate geometry to four Cs1+ and one La3+ atom.
DOI: 10.17188/1652236
title: Materials Data on Lu2FeSi4 by Materials Project

description: Lu2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 2.97–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 3.01–3.17 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.43 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.39 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Lu3+ and three Si2- atoms. Both Si–Si bond lengths are 2.35 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to six Lu3+ and three Si2- atoms.
DOI: 10.17188/1652237
title: Materials Data on YMgSe3 by Materials Project

description: MgYSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four Se+1.67- atoms. There are two shorter (2.62 Å) and two longer (2.64 Å) Mg–Se bond lengths. Y3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing YSe6 pentagonal pyramids. There are a spread of Y–Se bond distances ranging from 2.77–2.99 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Y3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Y3+ atoms to form edge-sharing SeY2Mg2 trigonal pyramids.
DOI: 10.17188/1652238
title: Materials Data on EuGaAu2 by Materials Project

description: EuAu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Eu–Au bond lengths are 3.07 Å. Au is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Ga atoms. All Au–Ga bond lengths are 3.07 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1652239
title: Materials Data on SrCaTiMnO6 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: 10.17188/1652240
title: Materials Data on TiCo3 by Materials Project

description: Co3Ti is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to twelve Co atoms to form TiCo12 cuboctahedra that share corners with six equivalent TiCo12 cuboctahedra, corners with twelve CoTi4Co8 cuboctahedra, edges with eighteen CoTi4Co8 cuboctahedra, faces with eight equivalent TiCo12 cuboctahedra, and faces with twelve CoTi4Co8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.57 Å) Ti–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ti and eight Co atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent TiCo12 cuboctahedra, corners with fourteen CoTi4Co8 cuboctahedra, edges with six equivalent TiCo12 cuboctahedra, edges with twelve CoTi4Co8 cuboctahedra, faces with four equivalent TiCo12 cuboctahedra, and faces with sixteen CoTi4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.50–2.63 Å. In the second Co site, Co is bonded to four equivalent Ti and eight Co atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent TiCo12 cuboctahedra, corners with fourteen CoTi4Co8 cuboctahedra, edges with six equivalent TiCo12 cuboctahedra, edges with twelve CoTi4Co8 cuboctahedra, faces with four equivalent TiCo12 cuboctahedra, and faces with sixteen CoTi4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.50–2.63 Å. In the third Co site, Co is bonded to four equivalent Ti and eight Co atoms to form distorted CoTi4Co8 cuboctahedra that share corners with four equivalent TiCo12 cuboctahedra, corners with fourteen CoTi4Co8 cuboctahedra, edges with six equivalent TiCo12 cuboctahedra, edges with twelve CoTi4Co8 cuboctahedra, faces with four equivalent TiCo12 cuboctahedra, and faces with sixteen CoTi4Co8 cuboctahedra.
DOI: 10.17188/1652241
title: Materials Data on CoPO4 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: 10.17188/1652244
title: Materials Data on Ca2Cu(SCl)2 by Materials Project

description: Ca2Cu(SCl)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to four S2- and two equivalent Cl1- atoms to form CaS4Cl2 octahedra that share corners with six equivalent CaS4Cl2 octahedra, edges with four equivalent CaS4Cl2 octahedra, and edges with four equivalent CuS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–S bond lengths are 2.80 Å. Both Ca–Cl bond lengths are 2.65 Å. Cu2+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form CuS2Cl4 octahedra that share corners with six equivalent CuS2Cl4 octahedra and edges with eight equivalent CaS4Cl2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–S bond lengths are 2.65 Å. All Cu–Cl bond lengths are 2.80 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms. In the second S2- site, S2- is bonded to four equivalent Ca2+ and two equivalent Cu2+ atoms to form corner-sharing SCa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to two equivalent Ca2+ and two equivalent Cu2+ atoms.
DOI: 10.17188/1652245
title: Materials Data on Hg3Pb by Materials Project

description: Hg3Pb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a 2-coordinate geometry to six equivalent Hg and four equivalent Pb atoms. There are four shorter (3.29 Å) and two longer (3.37 Å) Hg–Hg bond lengths. There are two shorter (3.35 Å) and two longer (3.46 Å) Hg–Pb bond lengths. Pb is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing PbHg12 cuboctahedra.
DOI: 10.17188/1652246
title: Materials Data on H9CN7O3 by Materials Project

description: CN6H9NO3 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four dihydrazinylmethylhydrazine molecules and four nitric acid molecules.
DOI: 10.17188/1652247
title: Materials Data on CrSb(PO4)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: 10.17188/1652248
title: Materials Data on BaCuS2 by Materials Project

description: BaCuS2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ba–S bond lengths are 3.23 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.37 Å. S2- is bonded to four equivalent Ba2+ and two equivalent Cu2+ atoms to form a mixture of face, edge, and corner-sharing SBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.
DOI: 10.17188/1652249
title: Materials Data on Tb23Cd4Rh7 by Materials Project

description: Tb23Rh7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two Cd atoms. Both Tb–Rh bond lengths are 2.82 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) Tb–Cd bond lengths. In the second Tb site, Tb is bonded in a distorted T-shaped geometry to three Rh atoms. There are two shorter (2.87 Å) and one longer (2.94 Å) Tb–Rh bond lengths. In the third Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two Rh and two equivalent Cd atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Tb–Rh bond lengths. Both Tb–Cd bond lengths are 3.56 Å. In the fourth Tb site, Tb is bonded in a 3-coordinate geometry to three Rh and three Cd atoms. There are one shorter (2.83 Å) and two longer (2.85 Å) Tb–Rh bond lengths. There are two shorter (3.45 Å) and one longer (3.49 Å) Tb–Cd bond lengths. In the fifth Tb site, Tb is bonded in a 3-coordinate geometry to two equivalent Rh and one Cd atom. Both Tb–Rh bond lengths are 3.54 Å. The Tb–Cd bond length is 3.28 Å. In the sixth Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Tb–Rh bond lengths are 2.84 Å. In the seventh Tb site, Tb is bonded in a 2-coordinate geometry to four Rh and one Cd atom. There are two shorter (2.80 Å) and two longer (3.49 Å) Tb–Rh bond lengths. The Tb–Cd bond length is 3.30 Å. In the eighth Tb site, Tb is bonded in a 4-coordinate geometry to two Rh and two equivalent Cd atoms. There are one shorter (3.41 Å) and one longer (3.53 Å) Tb–Rh bond lengths. Both Tb–Cd bond lengths are 3.32 Å. In the ninth Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Rh and three equivalent Cd atoms. All Tb–Rh bond lengths are 2.83 Å. All Tb–Cd bond lengths are 3.45 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to nine Tb atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Tb atoms. In the third Rh site, Rh is bonded in a 6-coordinate geometry to nine Tb atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Tb and three equivalent Cd atoms to form distorted face-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å. In the second Cd site, Cd is bonded to nine Tb and three Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.15 Å.