cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1690943
title: Materials Data on SrPb2Cl6O5 by Materials Project

description: SrPb2O5Cl6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O and two equivalent Cl atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.81 Å. Both Sr–Cl bond lengths are 3.40 Å. Pb is bonded in a 1-coordinate geometry to one O and seven Cl atoms. The Pb–O bond length is 2.60 Å. There are a spread of Pb–Cl bond distances ranging from 2.87–3.23 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Sr, one Pb, and two Cl atoms. There are one shorter (2.39 Å) and one longer (2.43 Å) O–Cl bond lengths. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Sr atoms. In the third O site, O is bonded in a single-bond geometry to one Sr atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent Pb and one O atom. In the second Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb atoms. In the third Cl site, Cl is bonded in a 4-coordinate geometry to one Sr, two equivalent Pb, and one O atom.
DOI: 10.17188/1690945
title: Materials Data on CeCd2Cu by Materials Project

description: CeCuCd2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to four equivalent Cu and ten Cd atoms. All Ce–Cu bond lengths are 3.05 Å. There are four shorter (3.05 Å) and six longer (3.52 Å) Ce–Cd bond lengths. Cu is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Cd atoms. All Cu–Cd bond lengths are 3.05 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Ce and four equivalent Cd atoms to form distorted edge-sharing CdCe4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.05 Å. In the second Cd site, Cd is bonded in a 4-coordinate geometry to six equivalent Ce, four equivalent Cu, and four equivalent Cd atoms.
DOI: 10.17188/1690947
title: Materials Data on Dy4(CoB2)3 by Materials Project

description: Dy4(CoB2)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Dy–B bond lengths are 2.64 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Dy–B bond lengths are 2.62 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a linear geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.50 Å. In the second Co2+ site, Co2+ is bonded in a 6-coordinate geometry to one Co2+ and six equivalent B3- atoms. All Co–B bond lengths are 2.12 Å. B3- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Co2+, and three equivalent B3- atoms. There is two shorter (1.76 Å) and one longer (1.78 Å) B–B bond length.
DOI: 10.17188/1690948
title: Materials Data on CrP2O7 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: 10.17188/1690949
title: Materials Data on K3ErF6 by Materials Project

description: K3ErF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent ErF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of K–F bond distances ranging from 2.60–2.66 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.34 Å. Er3+ is bonded to six F1- atoms to form ErF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are two shorter (2.16 Å) and four longer (2.17 Å) Er–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four K1+ and one Er3+ atom. In the second F1- site, F1- is bonded to three K1+ and one Er3+ atom to form distorted corner-sharing FK3Er tetrahedra. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four K1+ and one Er3+ atom.
DOI: 10.17188/1690950
title: Materials Data on NaAsO6 by Materials Project

description: NaAsO4O2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one NaAsO4 sheet oriented in the (0, 0, 1) direction. In the NaAsO4 sheet, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.91 Å. As is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of As–O bond distances ranging from 1.74–1.89 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted square co-planar geometry to three equivalent Na and one As atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na and two equivalent As atoms. In the third O site, O is bonded in a water-like geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1690951
title: Materials Data on MnC4Br3N by Materials Project

description: MnBr3CC3N crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; two methane molecules; and one MnBr3 ribbon oriented in the (0, 1, 0) direction. In the MnBr3 ribbon, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are one shorter (2.53 Å) and five longer (2.54 Å) Mn–Br bond lengths. Br1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ atoms.
DOI: 10.17188/1690952
title: Materials Data on Eu2Al3O8 by Materials Project

description: Eu2Al3O8 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Eu is bonded to six O atoms to form EuO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with three equivalent EuO6 octahedra. There are three shorter (2.34 Å) and three longer (2.40 Å) Eu–O bond lengths. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent EuO6 octahedra and corners with four equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Al–O bond lengths are 1.77 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Eu atoms. In the second O site, O is bonded in a trigonal planar geometry to one Eu and two equivalent Al atoms.
DOI: 10.17188/1690953
title: Materials Data on Ti(MoS2)2 by Materials Project

description: Ti(MoS2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ti4+ is bonded to six S2- atoms to form distorted TiS6 octahedra that share corners with six equivalent MoS6 octahedra, edges with two equivalent TiS6 octahedra, edges with four equivalent MoS6 octahedra, and a faceface with one MoS6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of Ti–S bond distances ranging from 2.40–2.62 Å. There are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to six S2- atoms to form distorted MoS6 octahedra that share corners with six equivalent MoS6 octahedra, edges with two equivalent MoS6 octahedra, edges with four equivalent TiS6 octahedra, and a faceface with one MoS6 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Mo–S bond distances ranging from 2.39–2.61 Å. In the second Mo2+ site, Mo2+ is bonded to six S2- atoms to form MoS6 octahedra that share corners with six equivalent TiS6 octahedra, corners with six equivalent MoS6 octahedra, edges with two equivalent MoS6 octahedra, a faceface with one TiS6 octahedra, and a faceface with one MoS6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Mo–S bond distances ranging from 2.39–2.48 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Ti4+ and three Mo2+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two Mo2+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Ti4+ and four Mo2+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ti4+ and three Mo2+ atoms.
DOI: 10.17188/1690954
title: Materials Data on Ba2Zn(P3O14)2 by Materials Project

description: Ba2Zn(P3O11)2(O2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of twelve hydrogen peroxide molecules and one Ba2Zn(P3O11)2 framework. In the Ba2Zn(P3O11)2 framework, Ba is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.81 Å. Zn is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (1.85 Å) and two longer (2.38 Å) Zn–O bond lengths. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.64 Å. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.62 Å. In the third P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.65 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Ba and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Zn and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the eleventh O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom.
DOI: 10.17188/1690955
title: Materials Data on MnCrTe2 by Materials Project

description: CrMnTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent MnTe6 octahedra, edges with six equivalent CrTe6 octahedra, and faces with two equivalent MnTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cr–Te bond lengths are 2.81 Å. Mn2+ is bonded to six equivalent Te2- atoms to form MnTe6 octahedra that share corners with twelve equivalent CrTe6 octahedra, edges with six equivalent MnTe6 octahedra, and faces with two equivalent CrTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Te bond lengths are 2.84 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Cr2+ and three equivalent Mn2+ atoms.
DOI: 10.17188/1690956
title: Materials Data on Cr2HgS4 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: 10.17188/1690959
title: Materials Data on Cr8Co7 by Materials Project

description: Cr8Co7 is beta Uranium-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 4-coordinate geometry to eight Cr and six Co atoms. There are a spread of Cr–Cr bond distances ranging from 2.32–2.79 Å. There are a spread of Cr–Co bond distances ranging from 2.41–2.74 Å. In the second Cr site, Cr is bonded in a 11-coordinate geometry to six Cr and nine Co atoms. There are a spread of Cr–Cr bond distances ranging from 2.43–2.85 Å. There are a spread of Cr–Co bond distances ranging from 2.53–2.91 Å. In the third Cr site, Cr is bonded in a 2-coordinate geometry to seven Cr and seven Co atoms. There are a spread of Cr–Co bond distances ranging from 2.26–2.53 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Cr and four Co atoms to form a mixture of distorted edge, face, and corner-sharing CoCr8Co4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.31–2.51 Å. In the second Co site, Co is bonded to six Cr and six Co atoms to form CoCr6Co6 cuboctahedra that share corners with sixteen equivalent CoCr8Co4 cuboctahedra, edges with two equivalent CoCr6Co6 cuboctahedra, and faces with four equivalent CoCr8Co4 cuboctahedra. Both Co–Co bond lengths are 2.49 Å. In the third Co site, Co is bonded in a distorted linear geometry to nine Cr and five Co atoms.
DOI: 10.17188/1690960
title: Materials Data on ErMoBrO4 by Materials Project

description: ErMoO4Br crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 4-coordinate geometry to five O2- and three Br1- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.87 Å. There are one shorter (2.88 Å) and two longer (2.90 Å) Er–Br bond lengths. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to six O2- and one Br1- atom. There are a spread of Er–O bond distances ranging from 2.27–2.41 Å. The Er–Br bond length is 2.98 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Er3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Mo6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Er3+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two Er3+ atoms.
DOI: 10.17188/1690961
title: Materials Data on Zn4FeS5 by Materials Project

description: FeZn4S5 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Fe2+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with six equivalent FeS4 tetrahedra and corners with six ZnS4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.35 Å) Fe–S bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.36 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.35 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent FeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.35 Å) and one longer (2.36 Å) Zn–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.36 Å. In the fourth S2- site, S2- is bonded to three equivalent Fe2+ and one Zn2+ atom to form corner-sharing SZnFe3 tetrahedra. In the fifth S2- site, S2- is bonded to one Fe2+ and three equivalent Zn2+ atoms to form corner-sharing SZn3Fe tetrahedra.
DOI: 10.17188/1690962
title: Materials Data on MnGe by Materials Project

description: MnGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mn is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.66 Å. Ge is bonded in a 7-coordinate geometry to seven equivalent Mn atoms.
DOI: 10.17188/1690963
title: Materials Data on CeCo9Ge4 by Materials Project

description: CeCo9Ge4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ge atoms. There are eight shorter (3.23 Å) and eight longer (3.38 Å) Ce–Co bond lengths. All Ce–Ge bond lengths are 3.26 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.42 Å) and four longer (2.51 Å) Co–Co bond lengths. All Co–Ge bond lengths are 2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, six Co, and four equivalent Ge atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.61 Å. There are two shorter (2.53 Å) and two longer (2.60 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 4-coordinate geometry to two equivalent Ce, three Co, and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.34–2.45 Å. Ge is bonded in a 11-coordinate geometry to two equivalent Ce and nine Co atoms.
DOI: 10.17188/1690964
title: Materials Data on Pr12Ni6Pb by Materials Project

description: Pr12Ni6Pb crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to four equivalent Ni and one Pb atom. There are a spread of Pr–Ni bond distances ranging from 2.78–3.76 Å. The Pr–Pb bond length is 3.71 Å. Ni is bonded in a 2-coordinate geometry to eight equivalent Pr and one Ni atom. The Ni–Ni bond length is 2.40 Å. Pb is bonded in a cuboctahedral geometry to twelve equivalent Pr atoms.
DOI: 10.17188/1690965
title: Materials Data on Rb2LiPu(Cl2O)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: 10.17188/1690966
title: Materials Data on SrNdScO4 by Materials Project

description: SrNdScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.93 Å. Nd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.28–2.90 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Sc–O bond distances ranging from 2.04–2.35 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Nd3+, and one Sc3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Nd3+, and one Sc3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Sc3+ atoms.
DOI: 10.17188/1690967
title: Materials Data on ErTlCu by Materials Project

description: ErCuTl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Tl atoms. There are a spread of Er–Cu bond distances ranging from 2.89–2.99 Å. There are two shorter (3.21 Å) and one longer (3.23 Å) Er–Tl bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.45 Å. Tl is bonded to three equivalent Er and three equivalent Tl atoms to form edge-sharing TlEr3Tl3 octahedra. There are two shorter (3.04 Å) and one longer (3.07 Å) Tl–Tl bond lengths.
DOI: 10.17188/1690968
title: Materials Data on Nd4Zn11 by Materials Project

description: Nd4Zn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to eight Zn atoms. There are a spread of Nd–Zn bond distances ranging from 2.92–3.74 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Nd atoms. In the second Zn site, Zn is bonded in a linear geometry to two equivalent Nd and four equivalent Zn atoms. All Zn–Zn bond lengths are 3.08 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to three equivalent Nd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.99 Å.
DOI: 10.17188/1690969
title: Materials Data on Rb2Zn5As4 by Materials Project

description: Rb2Zn5As4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to two equivalent Rb1+ and eight As3- atoms. Both Rb–Rb bond lengths are 3.71 Å. There are a spread of Rb–As bond distances ranging from 3.49–3.88 Å. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.54–2.72 Å. In the second Zn2+ site, Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are a spread of Zn–As bond distances ranging from 2.52–2.70 Å. In the third Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four As3- atoms. There are two shorter (2.59 Å) and two longer (2.67 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent Rb1+ and five Zn2+ atoms. In the second As3- site, As3- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and five Zn2+ atoms.