cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1711267
title: Materials Data on U2Cu(PO10)2 by Materials Project

description: (UPO6)2CuO4(O2)2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two 1,2,3,4-tetraoxacyclobutane molecules; two CuO4 clusters; and two UPO6 sheets oriented in the (0, 0, 1) direction. In each CuO4 cluster, Cu is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Cu–O bond lengths are 1.77 Å. O is bonded in a single-bond geometry to one Cu atom. In each UPO6 sheet, U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.26 Å. P is bonded to four equivalent O atoms to form PO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 34°. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a distorted single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom.
DOI: 10.17188/1711268
title: Materials Data on PrHfO14 by Materials Project

description: PrHfO14 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded to sixteen O atoms to form PrO16 tetrahedra that share corners with four equivalent PrO16 tetrahedra and faces with four equivalent HfO12 cuboctahedra. There are four shorter (2.34 Å) and twelve longer (2.92 Å) Pr–O bond lengths. Hf is bonded to twelve equivalent O atoms to form HfO12 cuboctahedra that share faces with four equivalent PrO16 tetrahedra. All Hf–O bond lengths are 2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Pr, one Hf, and four equivalent O atoms. There is two shorter (1.90 Å) and two longer (1.99 Å) O–O bond length. In the second O site, O is bonded in a linear geometry to two equivalent Pr atoms.
DOI: 10.17188/1711269
title: Materials Data on DyNiP by Materials Project

description: DyNiP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing DyNi6P6 cuboctahedra. All Dy–Ni bond lengths are 2.99 Å. All Dy–P bond lengths are 2.95 Å. In the second Dy site, Dy is bonded to six equivalent Ni and six equivalent P atoms to form a mixture of face and edge-sharing DyNi6P6 cuboctahedra. All Dy–Ni bond lengths are 2.93 Å. All Dy–P bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Dy and three equivalent P atoms. All Ni–P bond lengths are 2.25 Å. P is bonded in a 3-coordinate geometry to six Dy and three equivalent Ni atoms.
DOI: 10.17188/1711270
title: Materials Data on GeTeO3 by Materials Project

description: GeTeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ge2+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent TeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.95 Å. Te4+ is bonded to twelve equivalent O2- atoms to form TeO12 cuboctahedra that share corners with twelve equivalent TeO12 cuboctahedra, faces with six equivalent TeO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Te–O bond lengths are 2.76 Å. O2- is bonded in a distorted linear geometry to two equivalent Ge2+ and four equivalent Te4+ atoms.
DOI: 10.17188/1711271
title: Materials Data on Rb2AmF6 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: 10.17188/1711272
title: Materials Data on ReS8NO2 by Materials Project

description: ReNS8O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ReNS8O2 cluster. Re7+ is bonded to six S1- atoms to form distorted edge-sharing ReS6 octahedra. There are a spread of Re–S bond distances ranging from 2.25–2.59 Å. N5+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. There are eight inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two S1- atoms. There are one shorter (1.99 Å) and one longer (2.06 Å) S–S bond lengths. In the second S1- site, S1- is bonded in a distorted water-like geometry to two S1- atoms. Both S–S bond lengths are 2.06 Å. In the third S1- site, S1- is bonded in a distorted single-bond geometry to one Re7+ and one S1- atom. In the fourth S1- site, S1- is bonded in a distorted single-bond geometry to one Re7+, one S1-, and one O2- atom. The S–O bond length is 3.34 Å. In the fifth S1- site, S1- is bonded in a 1-coordinate geometry to two equivalent Re7+ and one N5+ atom. In the sixth S1- site, S1- is bonded in a 2-coordinate geometry to one Re7+ and one S1- atom. The S–S bond length is 2.03 Å. In the seventh S1- site, S1- is bonded in a 2-coordinate geometry to two S1- atoms. In the eighth S1- site, S1- is bonded in a distorted bent 120 degrees geometry to one Re7+ and one S1- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one S1- and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1711273
title: Materials Data on B3Pb6O10F by Materials Project

description: B3Pb6O10F crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.44 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.65 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–3.14 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.04 Å. In the fourth Pb2+ site, Pb2+ is bonded to four O2- and one F1- atom to form distorted edge-sharing PbO4F square pyramids. There are a spread of Pb–O bond distances ranging from 2.28–2.78 Å. The Pb–F bond length is 2.43 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb2+ atoms. F1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.
DOI: 10.17188/1711274
title: Materials Data on CaNi5H by Materials Project

description: CaNi5H crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight equivalent Ni and two equivalent H atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Ca–Ni bond lengths. Both Ca–H bond lengths are 2.44 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a single-bond geometry to four equivalent Ni and one H atom. There are two shorter (2.38 Å) and two longer (2.40 Å) Ni–Ni bond lengths. The Ni–H bond length is 1.62 Å. In the second Ni site, Ni is bonded in a single-bond geometry to four equivalent Ni and one H atom. All Ni–Ni bond lengths are 2.52 Å. The Ni–H bond length is 1.67 Å. In the third Ni site, Ni is bonded to four equivalent Ca and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiCa4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.42 Å. H is bonded in a 5-coordinate geometry to two equivalent Ca and three Ni atoms.
DOI: 10.17188/1711275
title: Materials Data on MnOF 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: 10.17188/1711276
title: Materials Data on MgScSe3 by Materials Project

description: MgScSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se+1.67- atoms to form MgSe6 octahedra that share corners with nine equivalent ScSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are three shorter (2.67 Å) and three longer (2.80 Å) Mg–Se bond lengths. Sc3+ is bonded to six equivalent Se+1.67- atoms to form ScSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent ScSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are three shorter (2.68 Å) and three longer (2.72 Å) Sc–Se bond lengths. Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeMg2Sc2 trigonal pyramids.
DOI: 10.17188/1711277
title: Materials Data on SrMg by Materials Project

description: SrMg crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven equivalent Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.66–3.82 Å. Mg is bonded in a 9-coordinate geometry to seven equivalent Sr and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.10 Å.
DOI: 10.17188/1711278
title: Materials Data on Li2Fe2P4H3O16 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: 10.17188/1711279
title: Materials Data on CrH20N2O6F5 by Materials Project

description: CrN2H16O6F5(H2)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight hydrogen molecules and two CrN2H16O6F5 ribbons oriented in the (0, 0, 1) direction. In each CrN2H16O6F5 ribbon, Cr3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cr–O bond distances ranging from 1.83–2.04 Å. N3- is bonded in a trigonal planar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.05 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.46 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to one N3- and one F1- atom. The H–F bond length is 1.63 Å. In the fifth H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.15 Å. The H–F bond length is 1.23 Å. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.45 Å. The H–F bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Cr3+ and three H1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one H1+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cr3+ and one H1+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted tetrahedral geometry to four H1+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one H1+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one H1+ atom.
DOI: 10.17188/1711281
title: Materials Data on Mn5SnO12 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: 10.17188/1711282
title: Materials Data on V2CuH14C2N2(OF2)4 by Materials Project

description: V2CuC2N2H14(OF2)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one V2CuC2N2H14(OF2)4 ribbon oriented in the (1, 0, 0) direction. V+3.50+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with two equivalent CuO2F4 octahedra and an edgeedge with one VOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–55°. The V–O bond length is 1.65 Å. There are a spread of V–F bond distances ranging from 1.95–2.20 Å. Cu1+ is bonded to two equivalent O2- and four F1- atoms to form CuO2F4 octahedra that share corners with four equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–55°. Both Cu–O bond lengths are 1.98 Å. There are two shorter (1.93 Å) and two longer (2.40 Å) Cu–F bond lengths. C is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.48 Å. Both C–H bond lengths are 1.10 Å. N3- is bonded in a distorted tetrahedral geometry to one C and three H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.05 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.67 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V+3.50+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Cu1+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one V+3.50+, one Cu1+, and one H1+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one V+3.50+ and one Cu1+ atom. In the third F1- site, F1- is bonded in a water-like geometry to two equivalent V+3.50+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V+3.50+ atom.
DOI: 10.17188/1711284
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: 10.17188/1711285
title: Materials Data on TiAlPd2 by Materials Project

description: Pd2TiAl is beta-prime cadmium gold-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Pd atoms to form a mixture of distorted edge and face-sharing TiPd8 cuboctahedra. All Ti–Pd bond lengths are 2.83 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Pd–Al bond lengths are 2.63 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1711287
title: Materials Data on Pr3(MnSn)4 by Materials Project

description: Pr3(MnSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form edge-sharing PrSn6 octahedra. There are four shorter (3.23 Å) and two longer (3.29 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Mn and six Sn atoms. There are two shorter (3.35 Å) and four longer (3.36 Å) Pr–Mn bond lengths. There are two shorter (3.33 Å) and four longer (3.37 Å) Pr–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to three equivalent Pr and four Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.96 Å.
DOI: 10.17188/1711288
title: Materials Data on CaAl2(SiO4)2 by Materials Project

description: CaAl2Si2O8 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent AlO4 tetrahedra and corners with six equivalent SiO4 tetrahedra. All Ca–O bond lengths are 2.46 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent CaO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There is one shorter (1.72 Å) and three longer (1.79 Å) Al–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent CaO6 octahedra and corners with four equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There is one shorter (1.60 Å) and three longer (1.66 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ca2+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Al3+ and one Si4+ atom.
DOI: 10.17188/1711289
title: Materials Data on U2Ga10CoNi by Materials Project

description: U2CoNiGa10 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with four equivalent UGa12 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra. There are a spread of U–Ga bond distances ranging from 2.97–3.00 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.49 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.51 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are a spread of Ga–Ga bond distances ranging from 2.62–3.00 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.00 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–U bond lengths are 2.97 Å. There are one shorter (2.62 Å) and two longer (2.98 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. There are one shorter (2.66 Å) and two longer (2.97 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. There are two shorter (2.98 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. There are two shorter (2.97 Å) and four longer (3.00 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.98 Å. In the eighth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent U, two equivalent Ni, and seven Ga atoms. Both Ga–U bond lengths are 2.98 Å. Both Ga–Ga bond lengths are 2.97 Å. In the ninth Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with four equivalent GaU4Ga8 cuboctahedra.
DOI: 10.17188/1711290
title: Materials Data on La6Mn5O18 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: 10.17188/1711291
title: Materials Data on Co3OF5 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: 10.17188/1711292
title: Materials Data on Rb2GdAgCl6 by Materials Project

description: Rb2GdAgCl6 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 GdCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All Rb–Cl bond lengths are 3.83 Å. Gd3+ is bonded to six equivalent Cl1- atoms to form GdCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Cl bond lengths are 2.66 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent GdCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.75 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Gd3+, and one Ag1+ atom.