cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722180
title: Materials Data on GeMoAs by Materials Project

description: MoGeAs is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo is bonded in a 8-coordinate geometry to five equivalent Ge and three equivalent As atoms. There are a spread of Mo–Ge bond distances ranging from 2.70–2.72 Å. There are two shorter (2.56 Å) and one longer (2.63 Å) Mo–As bond lengths. Ge is bonded in a 5-coordinate geometry to five equivalent Mo atoms. As is bonded in a 4-coordinate geometry to three equivalent Mo and three equivalent As atoms. There are one shorter (2.48 Å) and two longer (2.81 Å) As–As bond lengths.
DOI: 10.17188/1722181
title: Materials Data on Sb3Pd8 by Materials Project

description: Pd8Sb3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to five Pd and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.90–3.32 Å. There are a spread of Pd–Sb bond distances ranging from 2.70–2.80 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. All Pd–Pd bond lengths are 3.20 Å. There are one shorter (2.69 Å) and three longer (2.80 Å) Pd–Sb bond lengths. In the third Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. There are one shorter (2.77 Å) and three longer (2.86 Å) Pd–Pd bond lengths. There are one shorter (2.71 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to five Pd and three Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.89–3.29 Å. There are a spread of Pd–Sb bond distances ranging from 2.70–2.82 Å. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. All Pd–Pd bond lengths are 3.14 Å. There are one shorter (2.70 Å) and three longer (2.82 Å) Pd–Sb bond lengths. In the sixth Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Sb atoms. All Pd–Pd bond lengths are 2.87 Å. There are one shorter (2.66 Å) and three longer (2.81 Å) Pd–Sb bond lengths. In the seventh Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.93–3.12 Å. There are a spread of Pd–Sb bond distances ranging from 2.63–2.89 Å. In the eighth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.63–2.90 Å. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms. In the third Sb site, Sb is bonded in a body-centered cubic geometry to eight Pd atoms. In the fourth Sb site, Sb is bonded in a distorted q6 geometry to ten Pd atoms.
DOI: 10.17188/1722182
title: Materials Data on Dy6Al43W4 by Materials Project

description: Dy6W4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one W, and fifteen Al atoms. The Dy–Dy bond length is 3.44 Å. The Dy–W bond length is 3.49 Å. There are a spread of Dy–Al bond distances ranging from 3.06–3.44 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted q6 geometry to two equivalent Dy and ten Al atoms. There are a spread of W–Al bond distances ranging from 2.60–2.73 Å. In the second W site, W is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.68 Å) and six longer (2.86 Å) W–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two W, and three equivalent Al atoms. There are one shorter (2.77 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.06 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent W atoms. In the fifth Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Dy and nine Al atoms to form a mixture of face and corner-sharing AlDy3Al9 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and two equivalent Al atoms.
DOI: 10.17188/1722183
title: Materials Data on NdAl2Ni by Materials Project

description: NdNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.98 Å) and two longer (3.20 Å) Nd–Ni bond lengths. There are a spread of Nd–Al bond distances ranging from 3.20–3.45 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. There are two shorter (2.44 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Nd and three equivalent Ni atoms.
DOI: 10.17188/1722184
title: Materials Data on Er2Fe17C3 by Materials Project

description: Er2Fe17C3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a distorted trigonal planar geometry to eight Fe and three equivalent C atoms. There are two shorter (2.98 Å) and six longer (3.24 Å) Er–Fe bond lengths. All Er–C bond lengths are 2.50 Å. In the second Er site, Er is bonded in a trigonal planar geometry to three equivalent C atoms. All Er–C bond lengths are 2.47 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Er and ten Fe atoms to form FeEr2Fe10 cuboctahedra that share corners with four equivalent FeEr2Fe10 cuboctahedra, corners with two equivalent CEr2Fe4 octahedra, faces with six equivalent FeEr2Fe10 cuboctahedra, and faces with four equivalent CEr2Fe4 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight shorter (2.48 Å) and two longer (2.64 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.72 Å. The Fe–C bond length is 1.85 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Er and thirteen Fe atoms. There are one shorter (2.39 Å) and three longer (2.68 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–C bond length is 1.92 Å. C is bonded to two Er and four Fe atoms to form CEr2Fe4 octahedra that share corners with two equivalent FeEr2Fe10 cuboctahedra, corners with four equivalent CEr2Fe4 octahedra, and faces with four equivalent FeEr2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1722185
title: Materials Data on Tb(BIr)2 by Materials Project

description: Tb(IrB)2 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Tb is bonded to four equivalent Ir and four equivalent B atoms to form distorted face-sharing TbB4Ir4 hexagonal bipyramids. All Tb–Ir bond lengths are 3.01 Å. There are two shorter (2.82 Å) and two longer (2.83 Å) Tb–B bond lengths. Ir is bonded in a 1-coordinate geometry to two equivalent Tb and five equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.15–2.38 Å. B is bonded in a 8-coordinate geometry to two equivalent Tb, five equivalent Ir, and one B atom. The B–B bond length is 1.86 Å.
DOI: 10.17188/1722186
title: Materials Data on CsLiH4W2SO3 by Materials Project

description: CsLiW2H4SO3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to two equivalent H+0.50+ and two equivalent O2- atoms. Both Cs–H bond lengths are 2.90 Å. Both Cs–O bond lengths are 3.23 Å. Li1+ is bonded in a rectangular see-saw-like geometry to one H+0.50+ and three O2- atoms. The Li–H bond length is 1.88 Å. There is one shorter (1.88 Å) and two longer (2.02 Å) Li–O bond length. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a distorted trigonal non-coplanar geometry to three H+0.50+ atoms. There is one shorter (1.90 Å) and two longer (1.96 Å) W–H bond length. In the second W2+ site, W2+ is bonded in a distorted octahedral geometry to four H+0.50+ and two equivalent O2- atoms. There are a spread of W–H bond distances ranging from 1.83–1.96 Å. Both W–O bond lengths are 2.45 Å. There are three inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a distorted trigonal non-coplanar geometry to one Cs1+ and two W2+ atoms. In the second H+0.50+ site, H+0.50+ is bonded in an L-shaped geometry to one Li1+ and one W2+ atom. In the third H+0.50+ site, H+0.50+ is bonded in a bent 120 degrees geometry to two W2+ atoms. S2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.53 Å) and two longer (1.56 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one Li1+, and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, one W2+, and one S2- atom.
DOI: 10.17188/1722187
title: Materials Data on HoGa3Os by Materials Project

description: HoOsGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and ten Ga atoms. All Ho–Os bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and two longer (3.21 Å) Ho–Ga bond lengths. Os is bonded to four equivalent Ho and eight equivalent Ga atoms to form distorted OsHo4Ga8 cuboctahedra that share corners with four equivalent OsHo4Ga8 cuboctahedra, edges with four equivalent GaHo6 octahedra, and faces with eight equivalent OsHo4Ga8 cuboctahedra. All Os–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ho atoms to form GaHo6 octahedra that share corners with six equivalent GaHo6 octahedra and edges with twelve equivalent OsHo4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ho, three equivalent Os, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.72 Å.
DOI: 10.17188/1722188
title: Materials Data on Mg3Si4 by Materials Project

description: Mg3Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.05 Å. There are a spread of Mg–Si bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg and eight Si atoms. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Si bond distances ranging from 2.78–2.98 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.95–3.12 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to three Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.08 Å. In the fifth Mg site, Mg is bonded in a 7-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.18 Å. In the sixth Mg site, Mg is bonded in a 7-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.20 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are two shorter (2.53 Å) and one longer (2.59 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are two shorter (2.59 Å) and one longer (2.82 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.75 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are one shorter (2.66 Å) and one longer (2.67 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 11-coordinate geometry to seven Mg and four Si atoms. There are one shorter (2.76 Å) and one longer (2.79 Å) Si–Si bond lengths. In the seventh Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. In the eighth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms.
DOI: 10.17188/1722189
title: Materials Data on Zr3Sb7Pd by Materials Project

description: Zr3PdSb7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 3.01–3.20 Å. In the second Zr4+ site, Zr4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 2.99–3.44 Å. In the third Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Zr–Sb bond distances ranging from 3.00–3.22 Å. Pd2+ is bonded to six Sb2- atoms to form distorted edge-sharing PdSb6 octahedra. There are a spread of Pd–Sb bond distances ranging from 2.68–2.83 Å. There are seven inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ atoms. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to three Zr4+ and one Pd2+ atom. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to three Zr4+ and two equivalent Pd2+ atoms. In the fourth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to three equivalent Zr4+ and two equivalent Pd2+ atoms. In the fifth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Zr4+ atoms. In the sixth Sb2- site, Sb2- is bonded in a 5-coordinate geometry to four Zr4+ and one Pd2+ atom. In the seventh Sb2- site, Sb2- is bonded in a 4-coordinate geometry to four Zr4+ atoms.
DOI: 10.17188/1722191
title: Materials Data on Li3NbFe3O8 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: 10.17188/1722192
title: Materials Data on LiMn5O5F 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: 10.17188/1722193
title: Materials Data on TiMn2Nb by Materials Project

description: TiNbMn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiNbMn2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Mn atoms. Both Ti–Mn bond lengths are 2.45 Å. Nb is bonded in a linear geometry to two equivalent Mn atoms. Both Nb–Mn bond lengths are 2.30 Å. Mn is bonded in a linear geometry to one Ti and one Nb atom.
DOI: 10.17188/1722194
title: Materials Data on AgClO2 by Materials Project

description: AgO2Cl crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two AgO2Cl sheets oriented in the (0, 1, 0) direction. Ag is bonded in a square co-planar geometry to four equivalent O atoms. There are two shorter (2.27 Å) and two longer (2.28 Å) Ag–O bond lengths. O is bonded in a T-shaped geometry to two equivalent Ag and one Cl atom. The O–Cl bond length is 1.80 Å. Cl is bonded in a linear geometry to two equivalent O atoms.
DOI: 10.17188/1722195
title: Materials Data on Mg2NiMo3S8 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: 10.17188/1722196
title: Materials Data on Li4Mn3CoO8 by Materials Project

description: Li4Mn3CoO8 is Caswellsilverite-derived structured and 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 six O2- atoms to form LiO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with five MnO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–12°. There are a spread of Li–O bond distances ranging from 2.08–2.25 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four MnO6 octahedra, an edgeedge with one CoO6 octahedra, edges with five MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–10°. There are a spread of Li–O bond distances ranging from 2.04–2.60 Å. There are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–12°. There are a spread of Mn–O bond distances ranging from 1.95–2.25 Å. In the second Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Mn–O bond distances ranging from 1.93–2.32 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–8°. There are a spread of Co–O bond distances ranging from 1.94–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, two Mn+2.67+, and one Co4+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three Li1+, two Mn+2.67+, and one Co4+ atom to form a mixture of distorted edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Mn+2.67+, and one Co4+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the fourth O2- site, O2- is bonded to three Li1+ and three Mn+2.67+ atoms to form a mixture of edge and corner-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°.
DOI: 10.17188/1722197
title: Materials Data on Sm(PPd)2 by Materials Project

description: Sm(PdP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded to eight equivalent P3- atoms to form SmP8 hexagonal bipyramids that share corners with sixteen equivalent PdP4 tetrahedra, edges with four equivalent SmP8 hexagonal bipyramids, edges with eight equivalent PdP4 tetrahedra, and faces with four equivalent SmP8 hexagonal bipyramids. All Sm–P bond lengths are 3.13 Å. Pd2+ is bonded to four equivalent P3- atoms to form PdP4 tetrahedra that share corners with eight equivalent SmP8 hexagonal bipyramids, corners with four equivalent PdP4 tetrahedra, edges with four equivalent SmP8 hexagonal bipyramids, and edges with four equivalent PdP4 tetrahedra. All Pd–P bond lengths are 2.48 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Sm2+, four equivalent Pd2+, and one P3- atom. The P–P bond length is 2.23 Å.
DOI: 10.17188/1722198
title: Materials Data on Si2AuN3 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: 10.17188/1722199
title: Materials Data on Dy3GaS6 by Materials Project

description: Dy3GaS6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share corners with five DyS7 pentagonal bipyramids, corners with three equivalent GaS4 tetrahedra, edges with five DyS7 pentagonal bipyramids, an edgeedge with one GaS4 tetrahedra, and a faceface with one DyS7 pentagonal bipyramid. There are a spread of Dy–S bond distances ranging from 2.68–2.97 Å. In the second Dy3+ site, Dy3+ is bonded to seven S2- atoms to form distorted DyS7 pentagonal bipyramids that share corners with two equivalent DyS7 pentagonal bipyramids, a cornercorner with one GaS4 tetrahedra, edges with eight DyS7 pentagonal bipyramids, and an edgeedge with one GaS4 tetrahedra. There are a spread of Dy–S bond distances ranging from 2.74–2.99 Å. Ga3+ is bonded to four S2- atoms to form GaS4 tetrahedra that share corners with seven DyS7 pentagonal bipyramids and edges with three DyS7 pentagonal bipyramids. There are three shorter (2.29 Å) and one longer (2.34 Å) Ga–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Dy3+ and one Ga3+ atom. In the second S2- site, S2- is bonded to four Dy3+ atoms to form SDy4 tetrahedra that share corners with two equivalent SDy4 tetrahedra, corners with two equivalent SDy4Ga trigonal bipyramids, edges with three equivalent SDy4 tetrahedra, and an edgeedge with one SDy4Ga trigonal bipyramid. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Dy3+ and one Ga3+ atom. In the fourth S2- site, S2- is bonded to four equivalent Dy3+ and one Ga3+ atom to form distorted SDy4Ga trigonal bipyramids that share corners with four equivalent SDy4 tetrahedra, edges with two equivalent SDy4 tetrahedra, and edges with two equivalent SDy4Ga trigonal bipyramids.