cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1700275
title: Materials Data on Ca2CuC(NO)2 by Materials Project

description: Ca2CuC(NO)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent O2- atoms. All Ca–N bond lengths are 2.88 Å. All Ca–O bond lengths are 2.46 Å. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.88 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.25 Å. N3- is bonded in a distorted single-bond geometry to four equivalent Ca2+ and one C4+ atom. O2- is bonded to four equivalent Ca2+ and two equivalent Cu2+ atoms to form a mixture of face, edge, and corner-sharing OCa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1700276
title: Materials Data on Pr3Sb4Pt3 by Materials Project

description: Pr3Pt3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to four equivalent Pt2- and eight equivalent Sb+0.75- atoms. All Pr–Pt bond lengths are 3.07 Å. There are four shorter (3.44 Å) and four longer (3.49 Å) Pr–Sb bond lengths. Pt2- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Sb+0.75- atoms. All Pt–Sb bond lengths are 2.79 Å. Sb+0.75- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1700277
title: Materials Data on La2IrRu by Materials Project

description: La2RuIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two La2RuIr ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to one Ru and one Ir atom. The La–Ru bond length is 2.35 Å. The La–Ir bond length is 2.50 Å. Ru is bonded in a linear geometry to two equivalent La atoms. Ir is bonded in a linear geometry to two equivalent La atoms.
DOI: 10.17188/1700278
title: Materials Data on YBi2C by Materials Project

description: YCBi2 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Y is bonded in a 2-coordinate geometry to two equivalent C and six Bi atoms. Both Y–C bond lengths are 2.81 Å. There are two shorter (3.07 Å) and four longer (3.52 Å) Y–Bi bond lengths. C is bonded in a 6-coordinate geometry to two equivalent Y and four equivalent Bi atoms. There are a spread of C–Bi bond distances ranging from 2.45–2.86 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent Y and two equivalent Bi atoms. Both Bi–Bi bond lengths are 2.84 Å. In the second Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Y and four equivalent C atoms.
DOI: 10.17188/1700279
title: Materials Data on AuC by Materials Project

description: AuC is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Au2+ is bonded to four equivalent C2- atoms to form corner-sharing AuC4 tetrahedra. All Au–C bond lengths are 2.14 Å. C2- is bonded to four equivalent Au2+ atoms to form corner-sharing CAu4 tetrahedra.
DOI: 10.17188/1700280
title: Materials Data on Si6C8N2O19 by Materials Project

description: (C)2(Si6C7(NO7)2)2(O2)5 crystallizes in the orthorhombic Ima2 space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four methane molecules; four trioxidane molecules; and two Si6C7(NO7)2 sheets oriented in the (0, 0, 1) direction. In each Si6C7(NO7)2 sheet, there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.60 Å) and three longer (1.63 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.78 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are five inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted T-shaped geometry to one N3- and two equivalent O2- atoms. The C–N bond length is 1.55 Å. Both C–O bond lengths are 1.99 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted water-like geometry to one N3- and one O2- atom. The C–N bond length is 1.57 Å. The C–O bond length is 1.44 Å. In the third C+2.50+ site, C+2.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.61 Å. In the fourth C+2.50+ site, C+2.50+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. In the fifth C+2.50+ site, C+2.50+ is bonded in a trigonal non-coplanar geometry to one N3- and two equivalent O2- atoms. The C–N bond length is 1.43 Å. Both C–O bond lengths are 1.40 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four C+2.50+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three C+2.50+ atoms. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Si4+ and two C+2.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one C+2.50+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.
DOI: 10.17188/1700281
title: Materials Data on Zr2CuRu by Materials Project

description: Zr2RuCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2RuCu ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Ru and one Cu atom. The Zr–Ru bond length is 2.27 Å. The Zr–Cu bond length is 2.73 Å. Ru is bonded in a linear geometry to two equivalent Zr atoms. Cu is bonded in a linear geometry to two equivalent Zr atoms.
DOI: 10.17188/1700283
title: Materials Data on Ca3InN3 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: 10.17188/1700285
title: Materials Data on Rb2U6Pt4Se17 by Materials Project

description: Rb2U6Pt4Se17 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.44–3.60 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.92 Å) and four longer (3.04 Å) U–Se bond lengths. In the second U6+ site, U6+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of U–Se bond distances ranging from 2.82–2.95 Å. Pt1- is bonded in a distorted square co-planar geometry to four Se2- atoms. There are two shorter (2.50 Å) and two longer (2.51 Å) Pt–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Rb1+, two U6+, and one Pt1- atom. In the second Se2- site, Se2- is bonded to one Rb1+, three U6+, and one Pt1- atom to form distorted SeRbU3Pt square pyramids that share corners with six equivalent SeRbU3Pt square pyramids, edges with two equivalent SeRbU3Pt square pyramids, a faceface with one SeRb2U4 octahedra, and a faceface with one SeRbU3Pt square pyramid. In the third Se2- site, Se2- is bonded to two equivalent Rb1+ and four equivalent U6+ atoms to form distorted face-sharing SeRb2U4 octahedra.
DOI: 10.17188/1700286
title: Materials Data on Fe5O3F7 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: 10.17188/1700287
title: Materials Data on Li4Mn(BO3)2 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: 10.17188/1700288
title: Materials Data on Th2P2S by Materials Project

description: Th2P2S crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Th2P2S ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a linear geometry to one P3- and one S2- atom. The Th–P bond length is 2.74 Å. The Th–S bond length is 2.60 Å. P3- is bonded in a linear geometry to one Th4+ and one P3- atom. The P–P bond length is 1.98 Å. S2- is bonded in a linear geometry to two equivalent Th4+ atoms.
DOI: 10.17188/1700289
title: Materials Data on Ti2Fe2H3 by Materials Project

description: Ti2Fe2H3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four H atoms to form distorted corner-sharing TiH4 trigonal pyramids. There is two shorter (1.90 Å) and two longer (2.04 Å) Ti–H bond length. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four H atoms. There is two shorter (1.90 Å) and two longer (2.06 Å) Ti–H bond length. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to five H atoms. There are a spread of Fe–H bond distances ranging from 1.70–2.27 Å. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three H atoms. There is two shorter (1.71 Å) and one longer (1.89 Å) Fe–H bond length. There are three inequivalent H sites. In the first H site, H is bonded in a 6-coordinate geometry to two Ti and four Fe atoms. In the second H site, H is bonded in a 4-coordinate geometry to two Ti and two equivalent Fe atoms. In the third H site, H is bonded to four Ti and two Fe atoms to form edge-sharing HTi4Fe2 octahedra.
DOI: 10.17188/1700290
title: Materials Data on K4UC2O11 by Materials Project

description: K4UC2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share corners with two equivalent KO8 hexagonal bipyramids and corners with four equivalent UO8 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.69–3.05 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.74–3.21 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.14 Å. In the fourth K site, K is bonded in a 9-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.72–3.14 Å. U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share corners with four equivalent KO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.85–2.45 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.33 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.26–1.33 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two K, one U, and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a distorted single-bond geometry to three K, one U, and one C atom. In the third O site, O is bonded in a 1-coordinate geometry to three K and one U atom. In the fourth O site, O is bonded in a 4-coordinate geometry to four K atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to two K and one U atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent K, one U, and one C atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the eighth O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the ninth O site, O is bonded in a distorted single-bond geometry to three K, one U, and one C atom. In the tenth O site, O is bonded in a distorted single-bond geometry to three K, one U, and one C atom. In the eleventh O site, O is bonded in a 5-coordinate geometry to three K, one U, and one O atom.
DOI: 10.17188/1700291
title: Materials Data on CoTeSe by Materials Project

description: CoTeSe is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Co4+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form edge-sharing CoTe3Se3 octahedra. All Co–Te bond lengths are 2.55 Å. All Co–Se bond lengths are 2.39 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Co4+ and three equivalent Se2- atoms. All Te–Se bond lengths are 3.52 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Co4+ and three equivalent Te2- atoms.
DOI: 10.17188/1700292
title: Materials Data on Li2Fe3NiO8 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: 10.17188/1700293
title: Materials Data on Mg2Cr3NiS8 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: 10.17188/1700294
title: Materials Data on Li4Y3MnO8 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: 10.17188/1700295
title: Materials Data on Na5Cu3(PO4)4 by Materials Project

description: Na5Cu3(PO4)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one Cu+2.33+ and five O2- atoms. The Na–Cu bond length is 2.22 Å. There are a spread of Na–O bond distances ranging from 2.20–2.77 Å. In the third Na1+ site, Na1+ is bonded in a 2-coordinate geometry to one P5+ and four O2- atoms. The Na–P bond length is 2.23 Å. There are a spread of Na–O bond distances ranging from 1.98–2.99 Å. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a 6-coordinate geometry to two equivalent Na1+ and four O2- atoms. There is two shorter (1.70 Å) and two longer (1.93 Å) Cu–O bond length. In the second Cu+2.33+ site, Cu+2.33+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.54–2.50 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 2-coordinate geometry to one Na1+ and four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–2.40 Å. In the second P5+ site, P5+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.27–2.39 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Cu+2.33+, and one P5+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Cu+2.33+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Cu+2.33+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Cu+2.33+, one P5+, and one O2- atom. The O–O bond length is 1.79 Å. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Cu+2.33+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to three Na1+, one P5+, and two O2- atoms. The O–O bond length is 1.70 Å.
DOI: 10.17188/1700297
title: Materials Data on Na4MnO5 by Materials Project

description: Na4MnO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.74 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with four NaO6 octahedra, corners with four equivalent MnO4 tetrahedra, and faces with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 33–61°. There are a spread of Na–O bond distances ranging from 2.35–2.60 Å. In the third Na site, Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent MnO4 tetrahedra, edges with two equivalent NaO6 octahedra, and faces with two equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are a spread of Na–O bond distances ranging from 2.34–2.69 Å. Mn is bonded to four O atoms to form MnO4 tetrahedra that share corners with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–51°. There are a spread of Mn–O bond distances ranging from 1.70–1.73 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five Na and one Mn atom. In the second O site, O is bonded to six Na atoms to form distorted corner-sharing ONa6 pentagonal pyramids. In the third O site, O is bonded in a 6-coordinate geometry to five Na and one Mn atom. In the fourth O site, O is bonded in a 5-coordinate geometry to four Na and one Mn atom.
DOI: 10.17188/1700298
title: Materials Data on Li2RhN2 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: 10.17188/1700299
title: Materials Data on Sr2EuCu2(BiO4)2 by Materials Project

description: Sr2EuCu2(BiO4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.67–2.83 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.51 Å. Cu+1.50+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share a cornercorner with one BiO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and one longer (2.58 Å) Cu–O bond lengths. Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with four equivalent BiO6 octahedra, a cornercorner with one CuO5 square pyramid, and edges with eight equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Bi–O bond distances ranging from 2.10–2.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Cu+1.50+ atoms to form distorted OSr2Eu2Cu2 octahedra that share corners with ten OSrBi5 octahedra, edges with three equivalent OSr2Eu2Cu2 octahedra, and faces with four equivalent OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded to one Sr2+ and five equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OSrBi5 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Cu+1.50+, and one Bi3+ atom.
DOI: 10.17188/1700300
title: Materials Data on ZnCdAg2 by Materials Project

description: Ag2CdZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ag2CdZn ribbons oriented in the (1, 0, 0) direction. Ag is bonded in a linear geometry to one Cd and one Zn atom. The Ag–Cd bond length is 2.79 Å. The Ag–Zn bond length is 2.53 Å. Cd is bonded in a linear geometry to two equivalent Ag atoms. Zn is bonded in a linear geometry to two equivalent Ag atoms.
DOI: 10.17188/1700302
title: Materials Data on NdMnPO 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: 10.17188/1700303
title: Materials Data on Tl2PO4 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: 10.17188/1700304
title: Materials Data on Sr2PAu by Materials Project

description: Sr2AuP crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sr2AuP ribbons oriented in the (1, 0, 0) direction. Sr2+ is bonded in a linear geometry to one Au1- and one P3- atom. The Sr–Au bond length is 3.07 Å. The Sr–P bond length is 2.64 Å. Au1- is bonded in a linear geometry to two equivalent Sr2+ atoms. P3- is bonded in a linear geometry to two equivalent Sr2+ atoms.
DOI: 10.17188/1700305
title: Materials Data on Dy2TeS2 by Materials Project

description: Dy2TeS2 is Corundum-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy3+ is bonded to two equivalent Te2- and four equivalent S2- atoms to form a mixture of edge and corner-sharing DyTe2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. Both Dy–Te bond lengths are 3.08 Å. All Dy–S bond lengths are 2.73 Å. Te2- is bonded in a square co-planar geometry to four equivalent Dy3+ atoms. S2- is bonded to four equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SDy4 trigonal pyramids.