cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188782
title: Materials Data on BaAg2 by Materials Project

description: BaAg2 is hexagonal omega structure structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ag atoms to form a mixture of edge and face-sharing BaAg12 cuboctahedra. There are a spread of Ba–Ag bond distances ranging from 3.58–3.60 Å. Ag is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ag atoms. All Ag–Ag bond lengths are 2.85 Å.
DOI: 10.17188/1188783
title: Materials Data on Ba2TbIrO6 by Materials Project

description: Ba2TbIrO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TbO6 octahedra, and faces with four equivalent IrO6 octahedra. All Ba–O bond lengths are 3.00 Å. Tb3+ is bonded to six equivalent O2- atoms to form TbO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–O bond lengths are 2.24 Å. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent TbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Tb3+, and one Ir5+ atom.
DOI: 10.17188/1188784
title: Materials Data on Li2ZnGe by Materials Project

description: Li2ZnGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Ge atoms to form distorted corner-sharing LiGe4 tetrahedra. All Li–Ge bond lengths are 2.67 Å. In the second Li site, Li is bonded to four equivalent Zn atoms to form distorted corner-sharing LiZn4 tetrahedra. All Li–Zn bond lengths are 2.67 Å. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Zn–Ge bond lengths are 2.67 Å. Ge is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Zn atoms.
DOI: 10.17188/1188785
title: Materials Data on K(USe3)2 by Materials Project

description: K(USe3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight Se2- atoms. There are four shorter (3.42 Å) and four longer (3.44 Å) K–Se bond lengths. U+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–2.95 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent U+5.50+ atoms to form a mixture of distorted edge and corner-sharing SeU4 trigonal pyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U+5.50+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U+5.50+ atoms.
DOI: 10.17188/1188786
title: Materials Data on Ba2CaReO6 by Materials Project

description: Ba2CaReO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent CaO6 octahedra, and faces with four equivalent ReO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.88–3.14 Å. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–10°. All Ca–O bond lengths are 2.30 Å. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–10°. There is four shorter (1.94 Å) and two longer (1.95 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Ca2+, and one Re6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ca2+, and one Re6+ atom.
DOI: 10.17188/1188787
title: Materials Data on SrCaGe by Materials Project

description: SrCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.30–3.62 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted corner and edge-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.07–3.12 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sr and four equivalent Ca atoms.
DOI: 10.17188/1188788
title: Materials Data on CoHgC4(SeN)4 by Materials Project

description: CoHgC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Co–N bond lengths are 1.92 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.73 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. Se2- is bonded in an L-shaped geometry to one Hg2+ and one C4+ atom.
DOI: 10.17188/1188789
title: Materials Data on Sr2TaGaO6 by Materials Project

description: Sr2TaGaO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent GaO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.65–3.01 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. All Ta–O bond lengths are 2.00 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–15°. All Ga–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Ta5+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ta5+, and one Ga3+ atom.
DOI: 10.17188/1188790
title: Materials Data on Ga2O3 by Materials Project

description: Ga2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner, edge, and face-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are three shorter (1.95 Å) and three longer (2.11 Å) Ga–O bond lengths. O2- is bonded to four equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa4 trigonal pyramids.
DOI: 10.17188/1188791
title: Materials Data on BaBeF4 by Materials Project

description: BaBeF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ba–F bond distances ranging from 2.69–3.21 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.55 Å) and two longer (1.58 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Ba2+ and one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Be2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Be2+ atom.
DOI: 10.17188/1188792
title: Materials Data on NaSnN by Materials Project

description: NaSnN is trigonal omega-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two NaSnN sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Na–N bond lengths are 2.52 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. All Sn–N bond lengths are 2.23 Å. N3- is bonded to three equivalent Na1+ and three equivalent Sn2+ atoms to form edge-sharing NNa3Sn3 octahedra.
DOI: 10.17188/1188793
title: Materials Data on Ho2InGe2 by Materials Project

description: Ho2InGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Ho–In bond lengths are 3.43 Å. There are two shorter (2.96 Å) and four longer (3.07 Å) Ho–Ge bond lengths. In is bonded to eight equivalent Ho and four equivalent Ge atoms to form a mixture of corner and face-sharing InHo8Ge4 cuboctahedra. All In–Ge bond lengths are 2.94 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ho, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.56 Å.
DOI: 10.17188/1188794
title: Materials Data on SrGe2 by Materials Project

description: SrGe2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.23–3.52 Å. In the second Sr site, Sr is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.36–3.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Sr and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Sr and three Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Sr and three Ge atoms. The Ge–Ge bond length is 2.57 Å.
DOI: 10.17188/1188795
title: Materials Data on CaAl2O4 by Materials Project

description: CaAl2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.50 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Al–O bond distances ranging from 1.93–2.01 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Al–O bond distances ranging from 1.91–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Al3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three Al3+ atoms. In the third O2- site, O2- is bonded to two equivalent Ca2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Al3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three Al3+ atoms.
DOI: 10.17188/1188796
title: Materials Data on KAuF6 by Materials Project

description: KAuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AuF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.98 Å) and six longer (3.00 Å) K–F bond lengths. Au5+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Au–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Au5+ atom.
DOI: 10.17188/1188797
title: Materials Data on SrCuSF by Materials Project

description: SrCuFS is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Sr–S bond lengths are 3.17 Å. All Sr–F bond lengths are 2.48 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.43 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra.
DOI: 10.17188/1188798
title: Materials Data on LiSm2OsO6 by Materials Project

description: LiSm2OsO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are two shorter (2.09 Å) and four longer (2.18 Å) Li–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Sm3+, and one Os5+ atom to form distorted corner-sharing OLiSm2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Sm3+, and one Os5+ atom.
DOI: 10.17188/1188799
title: Materials Data on LiPr2OsO6 by Materials Project

description: LiPr2OsO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There are two shorter (2.10 Å) and four longer (2.19 Å) Li–O bond lengths. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.77 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Pr3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Pr3+, and one Os5+ atom to form distorted corner-sharing OLiPr2Os tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Pr3+, and one Os5+ atom.
DOI: 10.17188/1188800
title: Materials Data on Sr2N by Materials Project

description: Sr2N is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sr2N sheets oriented in the (0, 0, 1) direction. Sr is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Sr–N bond lengths are 2.62 Å. N is bonded to six equivalent Sr atoms to form edge-sharing NSr6 octahedra.
DOI: 10.17188/1188801
title: Materials Data on LiNd2OsO6 by Materials Project

description: LiNd2OsO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There are two shorter (2.09 Å) and four longer (2.19 Å) Li–O bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.76 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Nd3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent Nd3+, and one Os5+ atom to form distorted corner-sharing OLiNd2Os trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Nd3+, and one Os5+ atom.
DOI: 10.17188/1188802
title: Materials Data on LiLa2OsO6 by Materials Project

description: LiLa2OsO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent OsO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Li–O bond distances ranging from 2.11–2.19 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. Os5+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There is four shorter (1.99 Å) and two longer (2.00 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Os5+ atom. In the second O2- site, O2- is bonded to one Li1+, two equivalent La3+, and one Os5+ atom to form distorted corner-sharing OLiLa2Os tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent La3+, and one Os5+ atom.
DOI: 10.17188/1188803
title: Materials Data on HoCuS2 by Materials Project

description: HoCuS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six S2- atoms to form HoS6 octahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with four equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Ho–S bond distances ranging from 2.65–2.80 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent HoS6 octahedra, corners with two equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–58°. There are a spread of Cu–S bond distances ranging from 2.30–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ho3+ and one Cu1+ atom. In the second S2- site, S2- is bonded to three equivalent Ho3+ and three equivalent Cu1+ atoms to form distorted edge-sharing SHo3Cu3 octahedra.
DOI: 10.17188/1188804
title: Materials Data on ErCuS2 by Materials Project

description: ErCuS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded to six S2- atoms to form ErS6 octahedra that share corners with four equivalent ErS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with four equivalent ErS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Er–S bond distances ranging from 2.64–2.79 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent ErS6 octahedra, corners with two equivalent CuS4 tetrahedra, edges with three equivalent ErS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–59°. There are a spread of Cu–S bond distances ranging from 2.30–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Er3+ and one Cu1+ atom. In the second S2- site, S2- is bonded to three equivalent Er3+ and three equivalent Cu1+ atoms to form distorted edge-sharing SEr3Cu3 octahedra.
DOI: 10.17188/1188838
title: Materials Data on TmCuS2 by Materials Project

description: TmCuS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with four equivalent TmS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with four equivalent TmS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Tm–S bond distances ranging from 2.63–2.77 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent TmS6 octahedra, corners with two equivalent CuS4 tetrahedra, edges with three equivalent TmS6 octahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–60°. There are a spread of Cu–S bond distances ranging from 2.30–2.41 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Tm3+ and one Cu1+ atom. In the second S2- site, S2- is bonded to three equivalent Tm3+ and three equivalent Cu1+ atoms to form distorted edge-sharing STm3Cu3 octahedra.