cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681417
title: Materials Data on BaSrNd4O8 by Materials Project

description: BaSrNd4O8 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.01 Å. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.70–3.01 Å. There are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–66°. There are a spread of Nd–O bond distances ranging from 2.30–2.50 Å. In the second Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Nd–O bond distances ranging from 2.33–2.52 Å. In the third Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Nd–O bond distances ranging from 2.37–2.44 Å. In the fourth Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–66°. There are a spread of Nd–O bond distances ranging from 2.32–2.48 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Nd3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three Nd3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Nd3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three Nd3+ atoms to form distorted OBa2Nd3 trigonal bipyramids that share corners with two equivalent OBa2Nd3 square pyramids, an edgeedge with one OBa2Nd3 square pyramid, and edges with four OSr2Nd3 trigonal bipyramids. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Nd3+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Nd3+ atoms. In the seventh O2- site, O2- is bonded to two equivalent Sr2+ and three Nd3+ atoms to form a mixture of corner and edge-sharing OSr2Nd3 square pyramids. In the eighth O2- site, O2- is bonded to two equivalent Ba2+ and three Nd3+ atoms to form OBa2Nd3 square pyramids that share corners with two equivalent OBa2Nd3 trigonal bipyramids, edges with four OSr2Nd3 square pyramids, and an edgeedge with one OBa2Nd3 trigonal bipyramid.
DOI: 10.17188/1681418
title: Materials Data on Ni(C2N3)3 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: 10.17188/1681419
title: Materials Data on Mg6GaB by Materials Project

description: Mg6GaB crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Ga and one B atom. Both Mg–Ga bond lengths are 2.77 Å. The Mg–B bond length is 2.51 Å. In the second Mg site, Mg is bonded in a distorted L-shaped geometry to two equivalent Ga atoms. Both Mg–Ga bond lengths are 2.83 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent B atoms. There are one shorter (3.17 Å) and one longer (3.27 Å) Mg–Ga bond lengths. Both Mg–B bond lengths are 2.72 Å. In the fourth Mg site, Mg is bonded in a water-like geometry to two equivalent B atoms. Both Mg–B bond lengths are 2.46 Å. Ga is bonded in a 10-coordinate geometry to ten Mg atoms. B is bonded in a 8-coordinate geometry to eight Mg atoms.
DOI: 10.17188/1681421
title: Materials Data on Mg16MnAl12 by Materials Project

description: Mg16MnAl12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, one Mn, and twelve Al atoms. All Mg–Mg bond lengths are 3.12 Å. The Mg–Mn bond length is 2.79 Å. There are three shorter (3.14 Å) and nine longer (3.20 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. There are one shorter (3.02 Å) and two longer (3.03 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.08–3.15 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.12 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.14 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, one Mn, and five Al atoms. There are two shorter (3.16 Å) and two longer (3.26 Å) Mg–Mg bond lengths. The Mg–Mn bond length is 3.07 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.14 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.14 Å. Mn is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Mn–Al bond lengths are 2.84 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and two longer (2.77 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.79 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Mn, and three Al atoms. Both Al–Al bond lengths are 2.65 Å.
DOI: 10.17188/1681423
title: Materials Data on RbB by Materials Project

description: BRb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded to six equivalent B atoms to form a mixture of edge and corner-sharing RbB6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–B bond lengths are 3.34 Å. B is bonded to six equivalent Rb atoms to form a mixture of edge and corner-sharing BRb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1681425
title: Materials Data on MnBe2Os by Materials Project

description: Be2MnOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Be2MnOs ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to one Mn and one Os atom. The Be–Mn bond length is 2.42 Å. The Be–Os bond length is 2.13 Å. Mn is bonded in a linear geometry to two equivalent Be atoms. Os is bonded in a linear geometry to two equivalent Be atoms.
DOI: 10.17188/1681426
title: Materials Data on BaCrS2 by Materials Project

description: BaCrS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent S2- atoms to form distorted BaS5 square pyramids that share corners with four equivalent BaS5 square pyramids, corners with five equivalent CrS5 trigonal bipyramids, and edges with eight equivalent BaS5 square pyramids. There are one shorter (3.17 Å) and four longer (3.29 Å) Ba–S bond lengths. Cr2+ is bonded to five S2- atoms to form distorted CrS5 trigonal bipyramids that share corners with five equivalent BaS5 square pyramids, corners with four equivalent CrS5 trigonal bipyramids, and edges with four equivalent CrS5 trigonal bipyramids. There are one shorter (2.40 Å) and four longer (2.45 Å) Cr–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Cr2+ atoms. In the second S2- site, S2- is bonded to five equivalent Ba2+ and one Cr2+ atom to form a mixture of distorted edge and corner-sharing SBa5Cr octahedra. The corner-sharing octahedral tilt angles are 12°.
DOI: 10.17188/1681427
title: Materials Data on Li3Mn3O5F3 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: 10.17188/1681428
title: Materials Data on Rb3Ge by Materials Project

description: Rb3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Rb3Ge ribbons oriented in the (0, 0, 1) direction. Rb is bonded in a distorted water-like geometry to two equivalent Ge atoms. Both Rb–Ge bond lengths are 3.90 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Rb atoms.
DOI: 10.17188/1681429
title: Materials Data on CaSnO2 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: 10.17188/1681430
title: Materials Data on MnZn3 by Materials Project

description: MnZn3 is beta-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Zn atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent MnMn6Zn6 cuboctahedra, corners with six equivalent ZnZn12 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnMn3Zn9 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with twelve equivalent ZnMn3Zn9 cuboctahedra. There are four shorter (2.72 Å) and two longer (2.75 Å) Mn–Mn bond lengths. There are four shorter (2.65 Å) and two longer (2.69 Å) Mn–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to three equivalent Mn and nine Zn atoms to form ZnMn3Zn9 cuboctahedra that share corners with twelve equivalent ZnMn3Zn9 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnMn3Zn9 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with twelve ZnMn3Zn9 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.72–2.82 Å. In the second Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent MnMn6Zn6 cuboctahedra, corners with six equivalent ZnZn12 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnMn3Zn9 cuboctahedra, and faces with eighteen ZnMn3Zn9 cuboctahedra. There are four shorter (2.72 Å) and two longer (2.75 Å) Zn–Zn bond lengths.
DOI: 10.17188/1681431
title: Materials Data on YMg2W3S8 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: 10.17188/1681432
title: Materials Data on TmScPd2 by Materials Project

description: TmScPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 2.94 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.94 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sc atoms.
DOI: 10.17188/1681433
title: Materials Data on K2RbCeCl6 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: 10.17188/1681435
title: Materials Data on In2Sb2H16C4S7N2 by Materials Project

description: In2Sb2S7((CH3)2NH2)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight dimethylazanium molecules and two In2Sb2S7 sheets oriented in the (1, 0, 0) direction. In each In2Sb2S7 sheet, In3+ is bonded to four S2- atoms to form corner-sharing InS4 tetrahedra. There are one shorter (2.49 Å) and three longer (2.50 Å) In–S bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. All Sb–S bond lengths are 2.48 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent In3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to one In3+ and one Sb3+ atom. In the third S2- site, S2- is bonded in an L-shaped geometry to one In3+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to one In3+ and one Sb3+ atom.
DOI: 10.17188/1681436
title: Materials Data on V(CrS2)2 by Materials Project

description: V(CrS2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. V2+ is bonded to six S2- atoms to form VS6 octahedra that share corners with six equivalent CrS6 octahedra, edges with two equivalent VS6 octahedra, edges with four equivalent CrS6 octahedra, and a faceface with one CrS6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of V–S bond distances ranging from 2.34–2.56 Å. There are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent CrS6 octahedra, edges with two equivalent CrS6 octahedra, edges with four equivalent VS6 octahedra, and a faceface with one CrS6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Cr–S bond distances ranging from 2.30–2.52 Å. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent VS6 octahedra, corners with six equivalent CrS6 octahedra, edges with two equivalent CrS6 octahedra, a faceface with one VS6 octahedra, and a faceface with one CrS6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of Cr–S bond distances ranging from 2.39–2.47 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one V2+ and four Cr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent V2+ and three Cr3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one V2+ and three Cr3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent V2+ and two Cr3+ atoms.
DOI: 10.17188/1681437
title: Materials Data on Fe2O3F 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: 10.17188/1681438
title: Materials Data on CsCeF5 by Materials Project

description: CsCeF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 2.98–3.38 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.03–3.60 Å. There are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.16–2.53 Å. In the second Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ce–F bond distances ranging from 2.17–2.42 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Ce4+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two Ce4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two Ce4+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one Ce4+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Ce4+ atom. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to one Cs1+ and two Ce4+ atoms. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Ce4+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two equivalent Ce4+ atoms. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to four Cs1+ and one Ce4+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to two Ce4+ atoms.
DOI: 10.17188/1681440
title: Materials Data on Mg2Ti3CrS8 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: 10.17188/1681441
title: Materials Data on TiBe12 by Materials Project

description: Be12Ti crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded in a 12-coordinate geometry to ten Be and two equivalent Ti atoms. There are a spread of Be–Be bond distances ranging from 2.07–2.23 Å. Both Be–Ti bond lengths are 2.79 Å. In the second Be site, Be is bonded to ten Be and two equivalent Ti atoms to form a mixture of distorted corner, edge, and face-sharing BeTi2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.26–2.34 Å. Both Be–Ti bond lengths are 2.62 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Ti atom. The Be–Be bond length is 2.19 Å. The Be–Ti bond length is 2.57 Å. Ti is bonded in a 12-coordinate geometry to twenty Be atoms.
DOI: 10.17188/1681442
title: Materials Data on MnPH2CO6 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: 10.17188/1681443
title: Materials Data on Sr11Hg54 by Materials Project

description: Sr11Hg54 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 1-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.32–3.74 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.26–3.52 Å. In the third Sr site, Sr is bonded in a 1-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.71 Å. In the fourth Sr site, Sr is bonded in a 1-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.46–3.76 Å. There are fourteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent Hg atoms. All Hg–Hg bond lengths are 3.11 Å. In the second Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.98–3.29 Å. In the third Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.18–3.28 Å. In the fourth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.36 Å. In the fifth Hg site, Hg is bonded in a 10-coordinate geometry to three equivalent Sr and seven Hg atoms. The Hg–Hg bond length is 3.26 Å. In the sixth Hg site, Hg is bonded in a 7-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.95–3.19 Å. In the seventh Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and three Hg atoms. There are one shorter (3.09 Å) and two longer (3.35 Å) Hg–Hg bond lengths. In the eighth Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.15 Å. In the ninth Hg site, Hg is bonded in a distorted hexagonal planar geometry to three equivalent Sr and three equivalent Hg atoms. All Hg–Hg bond lengths are 3.04 Å. In the tenth Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and two equivalent Hg atoms. In the eleventh Hg site, Hg is bonded in a 8-coordinate geometry to four Sr and four Hg atoms. There are one shorter (3.04 Å) and one longer (3.15 Å) Hg–Hg bond lengths. In the twelfth Hg site, Hg is bonded in a 9-coordinate geometry to nine Hg atoms. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and four Hg atoms. The Hg–Hg bond length is 3.18 Å. In the fourteenth Hg site, Hg is bonded in a 10-coordinate geometry to three Sr and seven Hg atoms.
DOI: 10.17188/1681444
title: Materials Data on Eu2InHg by Materials Project

description: Eu2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Eu–Hg bond lengths are 3.44 Å. All Eu–In bond lengths are 3.44 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. In is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1681445
title: Materials Data on Sm6Cd(GeS7)2 by Materials Project

description: Sm6Cd(GeS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.83–3.21 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.83–3.18 Å. Cd2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.67 Å) and three longer (2.74 Å) Cd–S bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.19 Å) and three longer (2.25 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.25 Å) Ge–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Sm3+ and one Cd2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Sm3+ and one Cd2+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Sm3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Sm3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Sm3+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Sm3+ and one Ge4+ atom.