cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1202358
title: Materials Data on MgTi2O5 by Materials Project

description: MgTi2O5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.22 Å. Ti4+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 32–48°. There are a spread of Ti–O bond distances ranging from 1.82–2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+ and three equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing OMgTi3 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ti4+ atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with four OMg2Ti2 trigonal pyramids and edges with four equivalent OMgTi3 trigonal pyramids.
DOI: 10.17188/1202359
title: Materials Data on MnCl2 by Materials Project

description: MnCl2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three MnCl2 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Cl1- atoms to form edge-sharing MnCl6 octahedra. All Mn–Cl bond lengths are 2.55 Å. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Mn2+ atoms.
DOI: 10.17188/1202366
title: Materials Data on CaAl12O19 by Materials Project

description: CaAl12O19 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to twelve O2- atoms to form CaO12 cuboctahedra that share corners with six equivalent CaO12 cuboctahedra, edges with six equivalent AlO6 octahedra, edges with three equivalent AlO5 trigonal bipyramids, and faces with six equivalent AlO6 octahedra. There are six shorter (2.72 Å) and six longer (2.81 Å) Ca–O bond lengths. There are five inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with twelve AlO6 octahedra and edges with three equivalent CaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 41–61°. There is three shorter (1.77 Å) and two longer (2.21 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.90 Å. In the third Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra, corners with three equivalent AlO5 trigonal bipyramids, faces with three equivalent CaO12 cuboctahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is three shorter (1.89 Å) and three longer (1.97 Å) Al–O bond length. In the fourth Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There is three shorter (1.81 Å) and one longer (1.83 Å) Al–O bond length. In the fifth Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with three equivalent AlO4 tetrahedra, a cornercorner with one AlO5 trigonal bipyramid, an edgeedge with one CaO12 cuboctahedra, and edges with five AlO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Al–O bond distances ranging from 1.82–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Al3+ atoms to form distorted corner-sharing OAl4 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and three Al3+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Al3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ca2+ and three Al3+ atoms.
DOI: 10.17188/1202367
title: Materials Data on Tl(CuO)2 by Materials Project

description: Tl(CuO)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Tl1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.48 Å. O2- is bonded in a 4-coordinate geometry to three Cu+1.50+ and one Tl1+ atom.
DOI: 10.17188/1202368
title: Materials Data on RbLiBr2 by Materials Project

description: RbLiBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are six shorter (3.53 Å) and two longer (4.03 Å) Rb–Br bond lengths. Li1+ is bonded to four Br1- atoms to form corner-sharing LiBr4 tetrahedra. There are two shorter (2.54 Å) and two longer (2.59 Å) Li–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Li1+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Rb1+ and two equivalent Li1+ atoms to form a mixture of distorted edge, face, and corner-sharing BrRb4Li2 octahedra. The corner-sharing octahedral tilt angles are 67°.
DOI: 10.17188/1202370
title: Materials Data on AlPd2 by Materials Project

description: Pd2Al is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to five equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.93 Å. In the second Pd site, Pd is bonded in a 3-coordinate geometry to five equivalent Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.90 Å. Al is bonded in a 10-coordinate geometry to ten Pd atoms.
DOI: 10.17188/1202371
title: Materials Data on CSO by Materials Project

description: CSO crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three CSO ribbons oriented in the (0, 0, 1) direction. C4+ is bonded in a distorted linear geometry to one S2- and one O2- atom. The C–S bond length is 1.56 Å. The C–O bond length is 1.18 Å. S2- is bonded in a linear geometry to one C4+ and one O2- atom. The S–O bond length is 3.34 Å. O2- is bonded in a single-bond geometry to one C4+ and one S2- atom.
DOI: 10.17188/1202372
title: Materials Data on ZrI2 by Materials Project

description: ZrI2 is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three ZrI2 clusters. Zr2+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are a spread of Zr–I bond distances ranging from 2.89–2.97 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr2+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Zr2+ atoms.
DOI: 10.17188/1202373
title: Materials Data on Tl6SCl4 by Materials Project

description: Tl6Cl4S crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to one S2- and four equivalent Cl1- atoms. The Tl–S bond length is 2.94 Å. There are two shorter (3.25 Å) and two longer (3.42 Å) Tl–Cl bond lengths. In the second Tl1+ site, Tl1+ is bonded to one S2- and four equivalent Cl1- atoms to form distorted corner-sharing TlSCl4 square pyramids. The Tl–S bond length is 2.85 Å. All Tl–Cl bond lengths are 3.25 Å. S2- is bonded in an octahedral geometry to six Tl1+ atoms. Cl1- is bonded in a 6-coordinate geometry to six Tl1+ atoms.
DOI: 10.17188/1202374
title: Materials Data on RbLiCl2 by Materials Project

description: RbLiCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are six shorter (3.36 Å) and two longer (3.76 Å) Rb–Cl bond lengths. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.44 Å) Li–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Rb1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Li1+ atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Li2 octahedra. The corner-sharing octahedral tilt angles are 68°.
DOI: 10.17188/1202375
title: Materials Data on TlBO2 by Materials Project

description: TlBO2 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–2.70 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.55–3.26 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There is two shorter (1.47 Å) and two longer (1.50 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Tl1+ and two equivalent B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Tl1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one B3+ atom.
DOI: 10.17188/1202376
title: Materials Data on AgTe3 by Materials Project

description: AgTe3 is High-temperature superconductor structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent Te1- atoms to form AgTe6 octahedra that share corners with six equivalent AgTe6 octahedra and edges with twelve equivalent TeAg2Te4 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (3.05 Å) and three longer (3.10 Å) Ag–Te bond lengths. Te1- is bonded to two equivalent Ag3+ and four equivalent Te1- atoms to form TeAg2Te4 octahedra that share corners with six equivalent TeAg2Te4 octahedra, edges with four equivalent AgTe6 octahedra, and edges with eight equivalent TeAg2Te4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Te–Te bond lengths are 3.07 Å.
DOI: 10.17188/1202377
title: Materials Data on K2PtI6 by Materials Project

description: K2PtI6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight I1- atoms. There are four shorter (3.74 Å) and four longer (3.89 Å) K–I bond lengths. Pt4+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.71 Å) and four longer (2.72 Å) Pt–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent K1+ and one Pt4+ atom to form a mixture of distorted edge and corner-sharing IK4Pt square pyramids. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Pt4+ atom.
DOI: 10.17188/1202378
title: Materials Data on CdI2 by Materials Project

description: CdI2 is trigonal omega-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.
DOI: 10.17188/1202379
title: Materials Data on ErPd3 by Materials Project

description: ErPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing ErPd12 cuboctahedra. All Er–Pd bond lengths are 2.91 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Er atoms.
DOI: 10.17188/1202380
title: Materials Data on Li2MnBr4 by Materials Project

description: Li2MnBr4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six equivalent LiBr6 octahedra, edges with four equivalent LiBr6 octahedra, and edges with four equivalent MnBr6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are four shorter (2.77 Å) and two longer (2.79 Å) Li–Br bond lengths. Mn2+ is bonded to six Br1- atoms to form MnBr6 octahedra that share edges with two equivalent MnBr6 octahedra and edges with eight equivalent LiBr6 octahedra. There are two shorter (2.70 Å) and four longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Li1+ and one Mn2+ atom to form a mixture of corner and edge-sharing BrLi4Mn square pyramids. In the second Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1202381
title: Materials Data on Ta2Zn3O8 by Materials Project

description: Zn3Ta2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with eight ZnO4 tetrahedra and edges with two equivalent TaO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.91–2.15 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with six equivalent TaO6 octahedra and corners with two equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–59°. There is two shorter (1.98 Å) and two longer (2.00 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with five equivalent TaO6 octahedra, a cornercorner with one ZnO4 tetrahedra, and an edgeedge with one ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Zn–O bond distances ranging from 1.95–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ta5+ and two Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ta5+ and one Zn2+ atom.
DOI: 10.17188/1202382
title: Materials Data on Ba5(GaS4)2 by Materials Project

description: Ba5(GaS4)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Ba–S bond distances ranging from 3.49–3.68 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.12–3.70 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.02–3.76 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.28 Å) and two longer (2.30 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ga–S bond distances ranging from 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six Ba2+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Ga3+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to six Ba2+ and one Ga3+ atom. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to five Ba2+ and one Ga3+ atom.
DOI: 10.17188/1202383
title: Materials Data on LiBiO2 by Materials Project

description: LiBiO2 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of two LiBiO2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. All Li–O bond lengths are 2.00 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.08–2.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Bi3+ atom.
DOI: 10.17188/1202384
title: Materials Data on LiRuO2 by Materials Project

description: LiRuO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with eight equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with four equivalent RuO6 octahedra, and faces with two equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are four shorter (2.08 Å) and two longer (2.10 Å) Li–O bond lengths. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with eight equivalent RuO6 octahedra, edges with two equivalent RuO6 octahedra, edges with four equivalent LiO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. All Ru–O bond lengths are 2.09 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Ru3+ atoms.
DOI: 10.17188/1202385
title: Materials Data on LaHO by Materials Project

description: LaHO is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to four equivalent H1- and four equivalent O2- atoms. All La–H bond lengths are 2.50 Å. All La–O bond lengths are 2.45 Å. In the second La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to four equivalent H1- and four equivalent O2- atoms. All La–H bond lengths are 2.54 Å. All La–O bond lengths are 2.43 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to four equivalent H1- and four equivalent O2- atoms. All La–H bond lengths are 2.58 Å. All La–O bond lengths are 2.41 Å. H1- is bonded to four La3+ atoms to form HLa4 tetrahedra that share corners with eight equivalent HLa4 tetrahedra, corners with eight equivalent OLa4 tetrahedra, edges with two equivalent HLa4 tetrahedra, and edges with four equivalent OLa4 tetrahedra. O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share corners with eight equivalent HLa4 tetrahedra, corners with eight equivalent OLa4 tetrahedra, edges with two equivalent OLa4 tetrahedra, and edges with four equivalent HLa4 tetrahedra.
DOI: 10.17188/1202386
title: Materials Data on V2Se9 by Materials Project

description: V2Se9 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two V2Se9 ribbons oriented in the (1, 0, 1) direction. V5+ is bonded in a 8-coordinate geometry to eight Se+1.11- atoms. There are a spread of V–Se bond distances ranging from 2.53–2.64 Å. There are five inequivalent Se+1.11- sites. In the first Se+1.11- site, Se+1.11- is bonded in a distorted single-bond geometry to one V5+ atom. In the second Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the third Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the fourth Se+1.11- site, Se+1.11- is bonded in a 2-coordinate geometry to two equivalent V5+ atoms. In the fifth Se+1.11- site, Se+1.11- is bonded in a distorted L-shaped geometry to two equivalent V5+ atoms.
DOI: 10.17188/1202387
title: Materials Data on SOF2 by Materials Project

description: SOF2 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight thionyl fluoride molecules. S4+ is bonded in a trigonal non-coplanar geometry to one O2- and two F1- atoms. The S–O bond length is 1.44 Å. Both S–F bond lengths are 1.63 Å. O2- is bonded in a single-bond geometry to one S4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S4+ atom.
DOI: 10.17188/1202388
title: Materials Data on Lu2S3 by Materials Project

description: Lu2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are three shorter (2.66 Å) and three longer (2.73 Å) Lu–S bond lengths. S2- is bonded to four equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SLu4 trigonal pyramids.