cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1686587
title: Materials Data on Ce2SbAu3 by Materials Project

description: Ce2Au3Sb crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb2Au10 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.36 Å. Both Ce–Sb bond lengths are 3.46 Å. In the second Ce3+ site, Ce3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing CeSb4Au8 cuboctahedra. There are a spread of Ce–Au bond distances ranging from 3.21–3.50 Å. All Ce–Sb bond lengths are 3.38 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+ and three Au1- atoms. There are one shorter (2.77 Å) and two longer (2.78 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 2-coordinate geometry to six Ce3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.80 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six Ce3+, two equivalent Au1-, and one Sb3- atom. The Au–Sb bond length is 2.83 Å. Sb3- is bonded in a 3-coordinate geometry to six Ce3+ and three Au1- atoms.
DOI: 10.17188/1686590
title: Materials Data on S3N3Cl3O by Materials Project

description: N3S3OCl3 is alpha boron-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N3S3OCl3 clusters. In four of the N3S3OCl3 clusters, there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.16 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.16 Å. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to two N+3.67+, one O2-, and one Cl1- atom. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.05 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In four of the N3S3OCl3 clusters, there are three inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.61 Å. In the second N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+3.67+ site, N+3.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.59 Å) and one longer (1.63 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.14 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+3.67+ and one Cl1- atom. The S–Cl bond length is 2.14 Å. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to two N+3.67+, one O2-, and one Cl1- atom. The S–O bond length is 1.43 Å. The S–Cl bond length is 2.05 Å. O2- is bonded in a single-bond geometry to one S2- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom.
DOI: 10.17188/1686591
title: Materials Data on GaN 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: 10.17188/1686592
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.36 Å) and three longer (2.38 Å) Zn–S bond lengths. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) S–Zn bond lengths. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.37 Å. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.35 Å. In the fifth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) S–Zn bond lengths. In the sixth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the seventh S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.37 Å.
DOI: 10.17188/1686595
title: Materials Data on Li2V2FeO6 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: 10.17188/1686596
title: Materials Data on K2MgCuF6 by Materials Project

description: K2MgCuF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent MgF6 octahedra, and faces with four equivalent CuF6 octahedra. All K–F bond lengths are 2.88 Å. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with two equivalent MgF6 octahedra, corners with four equivalent CuF6 octahedra, and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.02 Å) and two longer (2.04 Å) Mg–F bond lengths. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four equivalent MgF6 octahedra, and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.06 Å) Cu–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+, one Mg2+, and one Cu2+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Cu2+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Mg2+ atoms.
DOI: 10.17188/1686598
title: Materials Data on Na2CoSiCO7 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: 10.17188/1686600
title: Materials Data on Tl5Ag3(PS3)4 by Materials Project

description: Ag3Tl5(PS3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.56 Å) and two longer (2.60 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.82 Å. There are three inequivalent Tl+1.40+ sites. In the first Tl+1.40+ site, Tl+1.40+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.19–3.60 Å. In the second Tl+1.40+ site, Tl+1.40+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.16–3.73 Å. In the third Tl+1.40+ site, Tl+1.40+ is bonded in a 6-coordinate geometry to six S2- atoms. There are four shorter (3.31 Å) and two longer (3.73 Å) Tl–S bond lengths. There are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.04 Å) and one longer (2.05 Å) P–S bond lengths. In the second P+3.50+ site, P+3.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.06 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, three Tl+1.40+, and one P+3.50+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, three Tl+1.40+, and one P+3.50+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Tl+1.40+ and one P+3.50+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Ag1+, three Tl+1.40+, and one P+3.50+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl+1.40+, and one P+3.50+ atom. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, three Tl+1.40+, and one P+3.50+ atom.
DOI: 10.17188/1686602
title: Materials Data on NbVO4 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: 10.17188/1686603
title: Materials Data on CaY by Materials Project

description: CaY is beta Np-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Y atoms. All Ca–Ca bond lengths are 3.54 Å. All Ca–Y bond lengths are 3.67 Å. Y is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Y atoms. All Y–Y bond lengths are 3.54 Å.
DOI: 10.17188/1686604
title: Materials Data on Na3W6N2O31 by Materials Project

description: NaO4Na2W6N2O27 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NaO4 cluster and one Na2W6N2O27 sheet oriented in the (1, 0, 0) direction. In the NaO4 cluster, Na is bonded in a distorted linear geometry to four O atoms. There are two shorter (2.08 Å) and two longer (2.39 Å) Na–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Na and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Na and one O atom. In the Na2W6N2O27 sheet, Na is bonded in a 5-coordinate geometry to one W and four O atoms. The Na–W bond length is 2.44 Å. There are a spread of Na–O bond distances ranging from 2.12–2.56 Å. There are three inequivalent W sites. In the first W site, W is bonded in a 3-coordinate geometry to four O atoms. There are a spread of W–O bond distances ranging from 1.68–2.05 Å. In the second W site, W is bonded in a 1-coordinate geometry to one Na and four O atoms. There are a spread of W–O bond distances ranging from 1.56–2.29 Å. In the third W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.80–2.62 Å. N is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.36 Å) and one longer (1.84 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two W atoms. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent W and two equivalent O atoms. Both O–O bond lengths are 1.94 Å. In the third O site, O is bonded in a 1-coordinate geometry to one W atom. In the fourth O site, O is bonded in a single-bond geometry to one W atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one W atom. In the sixth O site, O is bonded in a 2-coordinate geometry to two W and two O atoms. There is one shorter (1.16 Å) and one longer (1.63 Å) O–O bond length. In the seventh O site, O is bonded in a distorted single-bond geometry to one W and one O atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one W and two O atoms. The O–O bond length is 1.82 Å. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Na and one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one Na and one W atom. In the twelfth O site, O is bonded in an L-shaped geometry to one W and one O atom. In the thirteenth O site, O is bonded in a 3-coordinate geometry to one Na and two W atoms. In the fourteenth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1686605
title: Materials Data on TiGeOs2 by Materials Project

description: TiOs2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiOs2Ge ribbons oriented in the (1, 0, 0) direction. Ti2+ is bonded in a linear geometry to two equivalent Os2- atoms. Both Ti–Os bond lengths are 2.13 Å. Os2- is bonded in a linear geometry to one Ti2+ and one Ge2+ atom. The Os–Ge bond length is 2.35 Å. Ge2+ is bonded in a linear geometry to two equivalent Os2- atoms.
DOI: 10.17188/1686606
title: Materials Data on Li3MnV4O12 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: 10.17188/1686607
title: Materials Data on H4N2O3 by Materials Project

description: NH4NO3 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four ammonia molecules; four hydroxylamine, n-hydroxy- molecules; and four water molecules.
DOI: 10.17188/1686608
title: Materials Data on V2OF5 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: 10.17188/1686609
title: Materials Data on Li6MnV3(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: 10.17188/1686610
title: Materials Data on Ni(IO3)2 by Materials Project

description: Ni(IO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ni(IO3)2 sheet oriented in the (0, 0, 1) direction. Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.12 Å) and two longer (2.14 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.
DOI: 10.17188/1686611
title: Materials Data on Li4V3Ni3(SbO8)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: 10.17188/1686612
title: Materials Data on Rb2Pb2O3 by Materials Project

description: Rb2Pb2O3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.03 Å) and three longer (3.14 Å) Rb–O bond lengths. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.21 Å. O2- is bonded to four equivalent Rb1+ and two equivalent Pb2+ atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 50–61°.
DOI: 10.17188/1686614
title: Materials Data on Nd2Cr3O19 by Materials Project

description: Nd2Cr3O17O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four oxygen molecules and one Nd2Cr3O17 framework. In the Nd2Cr3O17 framework, there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.82 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.38–2.61 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.69 Å. In the second Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.68 Å. In the third Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.60–1.71 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one Cr atom. In the second O site, O is bonded in a distorted single-bond geometry to one Nd and one Cr atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Nd and one Cr atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Nd and one Cr atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Cr atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Nd and one Cr atom. In the eleventh O site, O is bonded in a single-bond geometry to one Cr atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Cr atom. In the thirteenth O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.29 Å. In the fourteenth O site, O is bonded in a water-like geometry to one Nd and one O atom. The O–O bond length is 1.31 Å. In the fifteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms.
DOI: 10.17188/1686615
title: Materials Data on Na2ScAgF6 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: 10.17188/1686616
title: Materials Data on Rb2LiSmCl6 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: 10.17188/1686617
title: Materials Data on SnH10C3Br3N by Materials Project

description: C3H7NH3SnBr3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two tribromotin molecules and two trimethylazanium molecules.
DOI: 10.17188/1686618
title: Materials Data on VAg(HO2)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: 10.17188/1686619
title: Materials Data on Rb2FeCuF6 by Materials Project

description: Rb2FeCuF6 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 F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent FeF6 octahedra, and faces with four equivalent CuF6 octahedra. All Rb–F bond lengths are 2.99 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent CuF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.01 Å. Cu1+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–F bond lengths are 2.21 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Fe3+, and one Cu1+ atom.