cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1270458
title: Materials Data on CsMnF3 by Materials Project

description: CsMnF3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve F1- atoms to form CsF12 cuboctahedra that share corners with twelve CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight MnF6 octahedra. There are six shorter (3.17 Å) and six longer (3.19 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve F1- atoms to form CsF12 cuboctahedra that share corners with nine CsF12 cuboctahedra, corners with three equivalent MnF6 octahedra, faces with seven CsF12 cuboctahedra, and faces with seven MnF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Cs–F bond distances ranging from 3.13–3.29 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent F1- atoms to form MnF6 octahedra that share corners with six equivalent MnF6 octahedra and faces with eight CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Mn–F bond lengths are 2.19 Å. In the second Mn2+ site, Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with three equivalent CsF12 cuboctahedra, corners with three equivalent MnF6 octahedra, faces with seven CsF12 cuboctahedra, and a faceface with one MnF6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.15 Å) and three longer (2.19 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four Cs1+ and two Mn2+ atoms. In the second F1- site, F1- is bonded in a distorted L-shaped geometry to four Cs1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1270460
title: Materials Data on RbGa3S5 by Materials Project

description: RbGa3S5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.44–3.92 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.39 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.24–2.38 Å. In the third Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.36 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and three Ga3+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+ and three Ga3+ atoms. In the fifth S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two Ga3+ atoms.
DOI: 10.17188/1270461
title: Materials Data on K2UAs2O9 by Materials Project

description: K2UAs2O9 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.29 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.94–3.23 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.31 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of As–O bond distances ranging from 1.66–1.81 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of As–O bond distances ranging from 1.67–1.82 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one U6+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one U6+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent As5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one As5+ atom.
DOI: 10.17188/1270462
title: Materials Data on Nd2Cu(GeO4)2 by Materials Project

description: CuNd2Ge2O8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.83 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.93 Å. Cu2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.74 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to five O2- atoms to form corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.78–1.99 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.81 Å) Ge–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to two Nd3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing ONd2CuGe trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to two Nd3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing ONd2CuGe trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Nd3+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Nd3+, one Cu2+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded to two Nd3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing ONd2CuGe trigonal pyramids. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+, two equivalent Cu2+, and one Ge4+ atom.
DOI: 10.17188/1270463
title: Materials Data on Ag2BiO3 by Materials Project

description: Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1270464
title: Materials Data on LiAlSiO4 by Materials Project

description: LiAlSiO4 crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.75 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom.
DOI: 10.17188/1270465
title: Materials Data on WSNCl5 by Materials Project

description: WNSCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two WNSCl5 clusters. W6+ is bonded to one N1+ and five Cl1- atoms to form distorted edge-sharing WNCl5 octahedra. The W–N bond length is 1.79 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.70 Å. N1+ is bonded in a distorted linear geometry to one W6+ and one S2- atom. The N–S bond length is 1.57 Å. S2- is bonded in a water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.06 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ 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 W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent W6+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.
DOI: 10.17188/1270466
title: Materials Data on LiUAsO6 by Materials Project

description: LiUAsO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with three AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 60–77°. There are a spread of Li–O bond distances ranging from 2.00–2.10 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.81 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent LiO4 tetrahedra and corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.34 Å. In the second 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 1.83–2.44 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–55°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–48°. There is one shorter (1.71 Å) and three longer (1.73 Å) As–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one U6+, and one As5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one U6+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one U6+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one U6+, and one As5+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one As5+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one U6+, and one As5+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one U6+, and one As5+ atom.
DOI: 10.17188/1270467
title: Materials Data on MnVAgO4 (SG:62) 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: 10.17188/1270468
title: Materials Data on La2SiS5 by Materials Project

description: La2SiS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.86–3.13 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.92–3.40 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.16 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four La3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three La3+ and one Si4+ atom.
DOI: 10.17188/1270469
title: Materials Data on Ba5Ru2Br2O9 by Materials Project

description: Ba5Ru2Br2O9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to three equivalent O2- and four equivalent Br1- atoms. All Ba–O bond lengths are 2.58 Å. There are one shorter (3.43 Å) and three longer (3.58 Å) Ba–Br bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to nine O2- and one Br1- atom. There are three shorter (2.73 Å) and six longer (3.00 Å) Ba–O bond lengths. The Ba–Br bond length is 3.31 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra and faces with six equivalent RuO6 octahedra. There are six shorter (2.97 Å) and six longer (2.98 Å) Ba–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share faces with three equivalent BaO12 cuboctahedra and a faceface with one RuO6 octahedra. There are three shorter (1.90 Å) and three longer (2.11 Å) Ru–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ru5+ atom. In the second O2- site, O2- is bonded to four Ba2+ and two equivalent Ru5+ atoms to form a mixture of distorted face and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 6–60°. Br1- is bonded in a 5-coordinate geometry to five Ba2+ atoms.
DOI: 10.17188/1270470
title: Materials Data on Cs3Li2F5 by Materials Project

description: Cs3Li2F5 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cs–F bond distances ranging from 2.99–3.08 Å. In the second Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to seven F1- atoms. There are a spread of Cs–F bond distances ranging from 2.99–3.17 Å. Li1+ is bonded in a 3-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.89–2.58 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six Cs1+ atoms to form a mixture of edge and corner-sharing FCs6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five Cs1+ and one Li1+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and four equivalent Li1+ atoms.
DOI: 10.17188/1270471
title: Materials Data on Li2TeS3 by Materials Project

description: Li2TeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form distorted LiS6 octahedra that share corners with two equivalent TeS6 octahedra, corners with four LiS6 octahedra, edges with five equivalent TeS6 octahedra, and edges with seven LiS6 octahedra. The corner-sharing octahedra tilt angles range from 4–16°. There are a spread of Li–S bond distances ranging from 2.53–3.15 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six LiS6 octahedra, edges with five equivalent TeS6 octahedra, and edges with seven LiS6 octahedra. The corner-sharing octahedra tilt angles range from 3–16°. There are a spread of Li–S bond distances ranging from 2.67–2.82 Å. Te4+ is bonded to six S2- atoms to form distorted TeS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four equivalent TeS6 octahedra, edges with two equivalent TeS6 octahedra, and edges with ten LiS6 octahedra. The corner-sharing octahedra tilt angles range from 6–16°. There are a spread of Te–S bond distances ranging from 2.38–3.30 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Li1+ and three equivalent Te4+ atoms. In the second S2- site, S2- is bonded to five Li1+ and one Te4+ atom to form a mixture of edge and corner-sharing SLi5Te octahedra. The corner-sharing octahedra tilt angles range from 2–15°. In the third S2- site, S2- is bonded to four Li1+ and two equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing SLi4Te2 octahedra. The corner-sharing octahedra tilt angles range from 4–15°.
DOI: 10.17188/1270472
title: Materials Data on SiO2 by Materials Project

description: SiO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are a spread of Si–O bond distances ranging from 1.75–1.83 Å. In the second Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is four shorter (1.79 Å) and two longer (1.82 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the third O2- site, O2- is bonded in a T-shaped geometry to three equivalent Si4+ atoms.
DOI: 10.17188/1270473
title: Materials Data on RbSb2Au3S5 by Materials Project

description: RbAu3Sb2S5 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.83 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.89 Å. There are four inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Au–S bond lengths. In the second Au1+ site, Au1+ is bonded in a distorted linear geometry to two S2- atoms. Both Au–S bond lengths are 2.34 Å. In the third Au1+ site, Au1+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Au–S bond lengths. In the fourth Au1+ site, Au1+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Au–S bond lengths. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.54–2.98 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are two shorter (2.50 Å) and one longer (2.61 Å) Sb–S bond lengths. In the third Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sb–S bond lengths. In the fourth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.47 Å) and two longer (2.51 Å) Sb–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to one Rb1+, two equivalent Au1+, and one Sb3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Rb1+ and two Sb3+ atoms. In the third S2- site, S2- is bonded to one Rb1+ and three Au1+ atoms to form corner-sharing SRbAu3 trigonal pyramids. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the fifth S2- site, S2- is bonded to three Au1+ and one Sb3+ atom to form corner-sharing SSbAu3 tetrahedra. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three Rb1+, one Au1+, and one Sb3+ atom. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to three Rb1+ and two Sb3+ atoms. In the eighth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Au1+ atoms.