cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1757684
title: Materials Data on Ga2CuAgTe4 by Materials Project

description: AgCuGa2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Ag–Te bond lengths are 2.78 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Cu–Te bond lengths are 2.61 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded to one Ag1+, one Cu1+, and two Ga3+ atoms to form corner-sharing TeGa2CuAg tetrahedra.
DOI: 10.17188/1757685
title: Materials Data on Y3Tl by Materials Project

description: Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Tl atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent TlY12 cuboctahedra, corners with fourteen equivalent YY8Tl4 cuboctahedra, edges with six equivalent TlY12 cuboctahedra, edges with twelve equivalent YY8Tl4 cuboctahedra, faces with four equivalent TlY12 cuboctahedra, and faces with sixteen equivalent YY8Tl4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.39–3.53 Å. There are two shorter (3.45 Å) and two longer (3.46 Å) Y–Tl bond lengths. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with six equivalent TlY12 cuboctahedra, corners with twelve equivalent YY8Tl4 cuboctahedra, edges with eighteen equivalent YY8Tl4 cuboctahedra, faces with eight equivalent TlY12 cuboctahedra, and faces with twelve equivalent YY8Tl4 cuboctahedra.
DOI: 10.17188/1757686
title: Materials Data on U3Ag2(GeO8)2 by Materials Project

description: U3Ag2(GeO8)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent AgO7 pentagonal bipyramids, corners with two equivalent GeO5 trigonal bipyramids, edges with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.86–2.52 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent AgO7 pentagonal bipyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of U–O bond distances ranging from 1.86–2.40 Å. In the third U6+ site, U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.31 Å. Ag3+ is bonded to seven O2- atoms to form distorted AgO7 pentagonal bipyramids that share corners with four UO7 pentagonal bipyramids and faces with two equivalent AgO7 pentagonal bipyramids. There are a spread of Ag–O bond distances ranging from 2.52–2.75 Å. Ge4+ is bonded to five O2- atoms to form GeO5 trigonal bipyramids that share corners with two UO7 pentagonal bipyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with two UO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.80–1.97 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Ag3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ and two equivalent Ag3+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Ag3+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Ag3+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Ag3+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag3+ and one O2- atom. The O–O bond length is 1.24 Å. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two U6+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Ag3+ atoms.
DOI: 10.17188/1757687
title: Materials Data on ZrPRu by Materials Project

description: ZrRuP crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five P atoms. There are two shorter (2.92 Å) and four longer (3.02 Å) Zr–Ru bond lengths. There are one shorter (2.69 Å) and four longer (2.73 Å) Zr–P bond lengths. In the second Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five P atoms. There are two shorter (2.93 Å) and four longer (3.01 Å) Zr–Ru bond lengths. There are a spread of Zr–P bond distances ranging from 2.71–2.73 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six Zr, two equivalent Ru, and four P atoms to form a mixture of distorted edge, face, and corner-sharing RuZr6P4Ru2 cuboctahedra. Both Ru–Ru bond lengths are 2.76 Å. There are two shorter (2.48 Å) and two longer (2.53 Å) Ru–P bond lengths. In the second Ru site, Ru is bonded to six Zr, two Ru, and four P atoms to form a mixture of distorted edge, face, and corner-sharing RuZr6P4Ru2 cuboctahedra. The Ru–Ru bond length is 2.76 Å. There are two shorter (2.46 Å) and two longer (2.52 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six Zr and three Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Zr and six Ru atoms.
DOI: 10.17188/1757688
title: Materials Data on Zr(MoO4)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: 10.17188/1757689
title: Materials Data on Cs2LiYI6 by Materials Project

description: Cs2LiYI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent LiI6 octahedra, and faces with four equivalent YI6 octahedra. All Cs–I bond lengths are 4.28 Å. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent YI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 3.02 Å. Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent LiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Y3+ atom.
DOI: 10.17188/1757690
title: Materials Data on LiRh3 by Materials Project

description: LiRh3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Rh atoms to form a mixture of corner, edge, and face-sharing LiRh12 cuboctahedra. There are four shorter (2.67 Å) and eight longer (2.69 Å) Li–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Li atoms to form a mixture of distorted corner and edge-sharing RhLi4 cuboctahedra. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Li atoms.
DOI: 10.17188/1757691
title: Materials Data on VFe(CuO2)2 by Materials Project

description: VFe(CuO2)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V3+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. All V–O bond lengths are 2.05 Å. Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.85 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids. The O–Cu bond length is 1.85 Å. In the second O2- site, O2- is bonded to three equivalent V3+ and one Cu1+ atom to form distorted OV3Cu trigonal pyramids that share corners with ten OFe3Cu trigonal pyramids and edges with three equivalent OV3Cu trigonal pyramids. The O–Cu bond length is 1.85 Å. In the third O2- site, O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids. In the fourth O2- site, O2- is bonded to three equivalent V3+ and one Cu1+ atom to form distorted OV3Cu trigonal pyramids that share corners with ten OFe3Cu trigonal pyramids and edges with three equivalent OV3Cu trigonal pyramids. In the fifth O2- site, O2- is bonded to three equivalent Fe3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OFe3Cu trigonal pyramids. All O–Fe bond lengths are 2.05 Å. The O–Cu bond length is 1.85 Å.
DOI: 10.17188/1757693
title: Materials Data on Ba2ZnSb2 by Materials Project

description: Ba2ZnSb2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form distorted BaSb6 octahedra that share corners with six equivalent BaSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with twelve equivalent BaSb6 octahedra, and faces with two equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–24°. There are a spread of Ba–Sb bond distances ranging from 3.58–3.67 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with twelve equivalent BaSb6 octahedra, edges with two equivalent ZnSb4 tetrahedra, and faces with four equivalent BaSb6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. All Zn–Sb bond lengths are 2.80 Å. Sb3- is bonded in a 8-coordinate geometry to six equivalent Ba2+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1757694
title: Materials Data on Sr7ZrN6 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: 10.17188/1757695
title: Materials Data on Li5Fe3(SbO5)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: 10.17188/1757697
title: Materials Data on U3Sb4Ir3 by Materials Project

description: U3Ir3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Ir and eight equivalent Sb atoms. All U–Ir bond lengths are 2.94 Å. There are four shorter (3.28 Å) and four longer (3.37 Å) U–Sb bond lengths. Ir is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Sb atoms. All Ir–Sb bond lengths are 2.71 Å. Sb is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Ir atoms.
DOI: 10.17188/1757698
title: Materials Data on CeSiGe by Materials Project

description: CeGeSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Ge and six equivalent Si atoms to form a mixture of edge and face-sharing CeSi6Ge6 cuboctahedra. There are four shorter (3.18 Å) and two longer (3.22 Å) Ce–Ge bond lengths. There are four shorter (3.18 Å) and two longer (3.22 Å) Ce–Si bond lengths. Ge is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.44 Å) Ge–Si bond lengths. Si is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Ge atoms.
DOI: 10.17188/1757699
title: Materials Data on TbWC2 by Materials Project

description: TbWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded to seven C4- atoms to form distorted TbC7 pentagonal bipyramids that share corners with four equivalent TbC7 pentagonal bipyramids, corners with three equivalent WC5 trigonal bipyramids, edges with four equivalent TbC7 pentagonal bipyramids, edges with seven equivalent WC5 trigonal bipyramids, and faces with two equivalent TbC7 pentagonal bipyramids. There are a spread of Tb–C bond distances ranging from 2.48–2.62 Å. W5+ is bonded to five C4- atoms to form WC5 trigonal bipyramids that share corners with three equivalent TbC7 pentagonal bipyramids, corners with four equivalent WC5 trigonal bipyramids, edges with seven equivalent TbC7 pentagonal bipyramids, and edges with two equivalent WC5 trigonal bipyramids. There are a spread of W–C bond distances ranging from 2.04–2.27 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent Tb3+ and two equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CTb4W2 octahedra. The corner-sharing octahedra tilt angles range from 10–60°. In the second C4- site, C4- is bonded to three equivalent Tb3+ and three equivalent W5+ atoms to form a mixture of corner, edge, and face-sharing CTb3W3 octahedra. The corner-sharing octahedra tilt angles range from 10–60°.
DOI: 10.17188/1757700
title: Materials Data on Li8Mn3Fe5(BO3)8 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: 10.17188/1757701
title: Materials Data on ErAgTe2 by Materials Project

description: ErAgTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Er3+ is bonded to six Te2- atoms to form ErTe6 octahedra that share corners with six equivalent AgTe4 tetrahedra, edges with six equivalent ErTe6 octahedra, and edges with three equivalent AgTe4 tetrahedra. There are three shorter (3.04 Å) and three longer (3.15 Å) Er–Te bond lengths. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six equivalent ErTe6 octahedra, corners with six equivalent AgTe4 tetrahedra, and edges with three equivalent ErTe6 octahedra. The corner-sharing octahedra tilt angles range from 11–58°. There are one shorter (2.79 Å) and three longer (2.83 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Er3+ and one Ag1+ atom to form distorted TeEr3Ag trigonal pyramids that share corners with six equivalent TeEr3Ag3 octahedra, corners with six equivalent TeEr3Ag trigonal pyramids, and edges with three equivalent TeEr3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 3–67°. In the second Te2- site, Te2- is bonded to three equivalent Er3+ and three equivalent Ag1+ atoms to form TeEr3Ag3 octahedra that share corners with six equivalent TeEr3Ag trigonal pyramids, edges with six equivalent TeEr3Ag3 octahedra, and edges with three equivalent TeEr3Ag trigonal pyramids.
DOI: 10.17188/1757703
title: Materials Data on Zr2TcIr by Materials Project

description: Zr2TcIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ir atoms. All Zr–Tc bond lengths are 2.86 Å. All Zr–Ir bond lengths are 2.86 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1757704
title: Materials Data on TiAlIr2 by Materials Project

description: TiIr2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiIr2Al ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Ir atoms. Both Ti–Ir bond lengths are 2.10 Å. Ir is bonded in a linear geometry to one Ti and one Al atom. The Ir–Al bond length is 2.42 Å. Al is bonded in a linear geometry to two equivalent Ir atoms.
DOI: 10.17188/1757705
title: Materials Data on Tl2Ni4P4O15 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: 10.17188/1757706
title: Materials Data on V2Zn4O9 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: 10.17188/1757707
title: Materials Data on Ba6Y2Co4O15 by Materials Project

description: Ba6Y2Co4O15 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–3.17 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.02 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.15 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.60–3.20 Å. Y3+ is bonded to six O2- atoms to form YO6 octahedra that share corners with six CoO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.22–2.35 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedra tilt angles range from 5–34°. There are a spread of Co–O bond distances ranging from 1.84–1.93 Å. In the second Co3+ site, Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent YO6 octahedra and a cornercorner with one CoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–32°. There are a spread of Co–O bond distances ranging from 1.80–1.94 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+, one Y3+, and one Co3+ atom. In the second O2- site, O2- is bonded to four Ba2+, one Y3+, and one Co3+ atom to form distorted corner-sharing OBa4YCo octahedra. The corner-sharing octahedra tilt angles range from 54–63°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Y3+, and one Co3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Y3+, and one Co3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Co3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two equivalent Co3+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Ba2+, one Y3+, and one Co3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Y3+, and one Co3+ atom.
DOI: 10.17188/1757708
title: Materials Data on Mn3VFe2(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: 10.17188/1757709
title: Materials Data on Yb(Al2Cu)4 by Materials Project

description: YbCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Yb–Cu bond lengths are 3.38 Å. There are four shorter (3.07 Å) and eight longer (3.21 Å) Yb–Al bond lengths. Cu is bonded to two equivalent Yb, two equivalent Cu, and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing CuYb2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.57 Å) and four longer (2.70 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Yb, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.74 Å.
DOI: 10.17188/1757710
title: Materials Data on Rb2NdAuCl6 by Materials Project

description: Rb2NdAuCl6 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 NdCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.88 Å. Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.73 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent NdCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.75 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Nd3+, and one Au1+ atom.