cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1192583
title: Materials Data on AgRuF7 by Materials Project

description: RuAgF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru6+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ru–F bond distances ranging from 1.86–1.96 Å. Ag1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.06–2.88 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ru6+ and one Ag1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ru6+ and one Ag1+ atom. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to one Ru6+ and one Ag1+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru6+ and one Ag1+ atom.
DOI: 10.17188/1192584
title: Materials Data on UF5 by Materials Project

description: UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.02–2.36 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms.
DOI: 10.17188/1192585
title: Materials Data on Ta5Ge3 by Materials Project

description: Ta5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.68–2.76 Å. In the second Ta site, Ta is bonded to six Ge atoms to form distorted corner-sharing TaGe6 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. There are four shorter (2.59 Å) and two longer (3.03 Å) Ta–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ta and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ta atoms.
DOI: 10.17188/1192586
title: Materials Data on Cu2Te3O8 by Materials Project

description: Cu2Te3O8 is Antimony trioxide-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form distorted corner-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.93–2.19 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.12 Å) Te–O bond lengths. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.22 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Te4+ atom.
DOI: 10.17188/1192587
title: Materials Data on CaCu3(GeO3)4 by Materials Project

description: CaCu3(GeO3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent GeO6 octahedra. All Ca–O bond lengths are 2.58 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. All Ge–O bond lengths are 1.93 Å. O2- is bonded in a 3-coordinate geometry to one Ca2+, one Cu2+, and two equivalent Ge4+ atoms.
DOI: 10.17188/1192588
title: Materials Data on UF5 by Materials Project

description: UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded to seven F1- atoms to form corner-sharing UF7 pentagonal bipyramids. There are a spread of U–F bond distances ranging from 2.01–2.34 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U5+ atoms.
DOI: 10.17188/1192589
title: Materials Data on CsNd(PO3)4 by Materials Project

description: CsNdP4O12 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.49 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.57 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.62 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- 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 third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Nd3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Nd3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Nd3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Nd3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two P5+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Nd3+, and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Nd3+, and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1192590
title: Materials Data on LuIr2 by Materials Project

description: LuIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Lu–Ir bond lengths are 3.12 Å. Ir is bonded to six equivalent Lu and six equivalent Ir atoms to form a mixture of edge, corner, and face-sharing IrLu6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.66 Å.
DOI: 10.17188/1192592
title: Materials Data on Ta5Ge3 by Materials Project

description: Ta5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.69–2.98 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Ge atoms. Both Ta–Ta bond lengths are 2.60 Å. All Ta–Ge bond lengths are 2.73 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.
DOI: 10.17188/1192594
title: Materials Data on ErRh2 by Materials Project

description: ErRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Er–Rh bond lengths are 3.12 Å. Rh is bonded to six equivalent Er and six equivalent Rh atoms to form a mixture of corner, edge, and face-sharing RhEr6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å.
DOI: 10.17188/1192595
title: Materials Data on TmBO3 by Materials Project

description: TmBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tm–O bond lengths are 2.43 Å. In the second Tm3+ site, Tm3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tm–O bond lengths are 2.24 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tm3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.
DOI: 10.17188/1192596
title: Materials Data on CsReO4 by Materials Project

description: CsReO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom.
DOI: 10.17188/1192597
title: Materials Data on SmCo9Si2 by Materials Project

description: SmCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 3.04–3.15 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Sm, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.62 Å. All Co–Si bond lengths are 2.55 Å. In the second Co site, Co is bonded to two equivalent Sm, eight Co, and two equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing CoSm2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.64 Å. There are one shorter (2.36 Å) and one longer (2.38 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co atoms.
DOI: 10.17188/1192598
title: Materials Data on Na2Cu4S3 by Materials Project

description: Na2Cu4S3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NaS6 octahedra. The corner-sharing octahedra tilt angles range from 38–62°. There are a spread of Na–S bond distances ranging from 2.79–3.01 Å. In the second Na1+ site, Na1+ is bonded to six S2- atoms to form a mixture of distorted face, edge, and corner-sharing NaS6 octahedra. The corner-sharing octahedra tilt angles range from 38–62°. There are a spread of Na–S bond distances ranging from 2.92–3.09 Å. There are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.27 Å) and two longer (2.44 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.32 Å) and two longer (2.33 Å) Cu–S bond lengths. In the third Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.26 Å) and one longer (2.37 Å) Cu–S bond lengths. In the fourth Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.30 Å) and two longer (2.42 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to four Na1+ and three Cu1+ atoms. In the second S2- site, S2- is bonded in a 9-coordinate geometry to three Na1+ and six Cu1+ atoms. In the third S2- site, S2- is bonded in a 8-coordinate geometry to five Na1+ and three Cu1+ atoms.
DOI: 10.17188/1192599
title: Materials Data on Er2SiSeO4 by Materials Project

description: Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.
DOI: 10.17188/1192600
title: Materials Data on USO6 by Materials Project

description: UO2SO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids and corners with four equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.49 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent UO7 pentagonal bipyramids. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one U6+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom.
DOI: 10.17188/1192601
title: Materials Data on Rb3SbSe4 by Materials Project

description: Rb3SbSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–4.04 Å. In the second Rb1+ site, Rb1+ is bonded to seven Se2- atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent RbSe7 pentagonal bipyramids, corners with five equivalent SbSe4 tetrahedra, edges with two equivalent RbSe7 pentagonal bipyramids, and an edgeedge with one SbSe4 tetrahedra. There are a spread of Rb–Se bond distances ranging from 3.47–3.92 Å. Sb5+ is bonded to four Se2- atoms to form SbSe4 tetrahedra that share corners with five equivalent RbSe7 pentagonal bipyramids and an edgeedge with one RbSe7 pentagonal bipyramid. There are three shorter (2.52 Å) and one longer (2.53 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Rb1+, one Sb5+, and one Se2- atom. The Se–Se bond length is 3.38 Å. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sb5+ atom. In the third Se2- site, Se2- is bonded to five Rb1+ and one Sb5+ atom to form edge-sharing SeRb5Sb octahedra.
DOI: 10.17188/1192602
title: Materials Data on Y2Zn17 by Materials Project

description: Y2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to nineteen Zn atoms. There are a spread of Y–Zn bond distances ranging from 3.11–3.46 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Y and nine Zn atoms to form distorted ZnY3Zn9 cuboctahedra that share corners with twenty-three ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with twenty ZnY3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.55–2.87 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to one Y and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.97 Å. In the third Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form ZnY2Zn10 cuboctahedra that share corners with twenty-two ZnY2Zn10 cuboctahedra, edges with ten ZnY2Zn10 cuboctahedra, and faces with eighteen ZnY3Zn9 cuboctahedra. All Zn–Zn bond lengths are 2.59 Å. In the fourth Zn site, Zn is bonded to two equivalent Y and ten Zn atoms to form distorted ZnY2Zn10 cuboctahedra that share corners with twenty-four ZnY2Zn10 cuboctahedra, edges with five ZnY2Zn10 cuboctahedra, and faces with twenty-one ZnY3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.
DOI: 10.17188/1192603
title: Materials Data on Yb5Si3SO12 by Materials Project

description: Yb5Si3SO12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Yb+2.80+ sites. In the first Yb+2.80+ site, Yb+2.80+ is bonded to six O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with four equivalent YbO6 pentagonal pyramids, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.25–2.40 Å. In the second Yb+2.80+ site, Yb+2.80+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.38 Å) and three longer (2.44 Å) Yb–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent YbO6 pentagonal pyramids and an edgeedge with one YbO6 pentagonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. S2- is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All S–O bond lengths are 2.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Yb+2.80+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb+2.80+, one Si4+, and one S2- atom. In the third O2- site, O2- is bonded to three Yb+2.80+ and one Si4+ atom to form distorted edge-sharing OYb3Si tetrahedra.
DOI: 10.17188/1192604
title: Materials Data on TlSnF7 by Materials Project

description: TlSnF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.20–2.42 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Tl3+ and one Sn4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Tl3+ and one Sn4+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one Sn4+ atom.
DOI: 10.17188/1192605
title: Materials Data on KGaS2 by Materials Project

description: KGaS2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.80 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.25–3.81 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.79 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.79 Å. There are four inequivalent Ga3+ sites. In the first 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 2.30–2.33 Å. In the second 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 2.30–2.33 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 2.30–2.33 Å. In the fourth 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 2.30–2.33 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two Ga3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to four K1+ and two Ga3+ atoms. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms. In the eighth S2- site, S2- is bonded in a 2-coordinate geometry to four K1+ and two Ga3+ atoms.