cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1677998
title: Materials Data on La3MnO7 by Materials Project

description: La3MnO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent La+2.33+ sites. In the first La+2.33+ site, La+2.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.68 Å. In the second La+2.33+ site, La+2.33+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.28–3.00 Å. In the third La+2.33+ site, La+2.33+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.50–3.05 Å. In the fourth La+2.33+ site, La+2.33+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.69 Å. In the fifth La+2.33+ site, La+2.33+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.28–3.01 Å. In the sixth La+2.33+ site, La+2.33+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of La–O bond distances ranging from 2.51–3.05 Å. There are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.83–2.13 Å. In the second Mn7+ site, Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.83–2.13 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four La+2.33+ and one Mn7+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four La+2.33+ and one Mn7+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to five La+2.33+ and one Mn7+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four La+2.33+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to four La+2.33+ and one Mn7+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to four La+2.33+ and one Mn7+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to four La+2.33+ and one Mn7+ atom. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to five La+2.33+ and one Mn7+ atom. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to four La+2.33+ atoms.
DOI: 10.17188/1677999
title: Materials Data on Li7Al6 by Materials Project

description: (Li)2Li5Al4(Al)2 crystallizes in the orthorhombic Cmmm space group. The structure is zero-dimensional and consists of four aluminum molecules, four lithium molecules, and two Li5Al4 clusters. In each Li5Al4 cluster, there are two inequivalent Li sites. In the first Li site, Li is bonded in a single-bond geometry to one Al atom. The Li–Al bond length is 2.68 Å. In the second Li site, Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent Al atoms. All Li–Al bond lengths are 2.89 Å. Al is bonded in a 3-coordinate geometry to two Li and one Al atom. The Al–Al bond length is 2.49 Å.
DOI: 10.17188/1678000
title: Materials Data on Li(MoSe)3 by Materials Project

description: Li(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Li is bonded in a trigonal planar geometry to three equivalent Se atoms. All Li–Se bond lengths are 2.58 Å. Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 1-coordinate geometry to one Li and four equivalent Mo atoms.
DOI: 10.17188/1678001
title: Materials Data on Ga2Hg5Se8 by Materials Project

description: Hg5Ga2Se8 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent HgSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. In the second Hg2+ site, Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with six HgSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.77 Å) Hg–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with ten HgSe4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.51 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Ga3+ atom. In the second Se2- site, Se2- is bonded to three Hg2+ and one Ga3+ atom to form corner-sharing SeGaHg3 tetrahedra.
DOI: 10.17188/1678002
title: Materials Data on Sc2Nb3Ge4 by Materials Project

description: Sc2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.77–3.01 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.62–2.80 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Nb–Ge bond distances ranging from 2.69–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Nb, and one Ge atom. The Ge–Ge bond length is 2.76 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six Nb, and one Ge atom.
DOI: 10.17188/1678003
title: Materials Data on Ce4CI6N by Materials Project

description: Ce4CNI6 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ce+3.25+ sites. In the first Ce+3.25+ site, Ce+3.25+ is bonded in a 2-coordinate geometry to two equivalent N3- and four equivalent I1- atoms. Both Ce–N bond lengths are 2.31 Å. All Ce–I bond lengths are 3.49 Å. In the second Ce+3.25+ site, Ce+3.25+ is bonded in a distorted single-bond geometry to two equivalent C4-, one N3-, and four I1- atoms. Both Ce–C bond lengths are 2.62 Å. The Ce–N bond length is 2.30 Å. There are a spread of Ce–I bond distances ranging from 3.20–3.41 Å. In the third Ce+3.25+ site, Ce+3.25+ is bonded in a distorted octahedral geometry to one C4- and five I1- atoms. The Ce–C bond length is 2.32 Å. There are four shorter (3.21 Å) and one longer (3.52 Å) Ce–I bond lengths. C4- is bonded in a 6-coordinate geometry to five Ce+3.25+ and one C4- atom. The C–C bond length is 1.43 Å. N3- is bonded to four Ce+3.25+ atoms to form edge-sharing NCe4 tetrahedra. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ce+3.25+ atoms. In the second I1- site, I1- is bonded in a trigonal planar geometry to three Ce+3.25+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three Ce+3.25+ atoms.
DOI: 10.17188/1678005
title: Materials Data on InH10C2SeCl3O2 by Materials Project

description: InC2H10SeO2Cl3 is beta Np structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight InC2H10SeO2Cl3 clusters. In3+ is bonded in a distorted octahedral geometry to one Se2-, two O2-, and three Cl1- atoms. The In–Se bond length is 2.77 Å. There are one shorter (2.30 Å) and one longer (2.32 Å) In–O bond lengths. All In–Cl bond lengths are 2.50 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one Se2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Se bond length is 1.96 Å. In the second C2- site, C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one Se2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–Se bond length is 1.96 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Se2- is bonded in a 3-coordinate geometry to one In3+ and two C2- atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one In3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one In3+ and two H1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom.
DOI: 10.17188/1678006
title: Materials Data on Rb2InSbF6 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: 10.17188/1678007
title: Materials Data on Li4MnCo3O8 by Materials Project

description: Li4MnCo3O8 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m 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 MnO6 octahedra, corners with five CoO6 octahedra, edges with six LiO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There are a spread of Li–O bond distances ranging from 2.04–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four CoO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Li–O bond distances ranging from 2.08–2.21 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. There is two shorter (1.94 Å) and four longer (1.96 Å) Mn–O bond length. There are two inequivalent Co+3.33+ sites. In the first Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four CoO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–11°. There are a spread of Co–O bond distances ranging from 1.99–2.17 Å. In the second Co+3.33+ site, Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There is four shorter (1.96 Å) and two longer (1.98 Å) Co–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three Co+3.33+ atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to three Li1+ and three Co+3.33+ atoms to form a mixture of edge and corner-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the third O2- site, O2- is bonded to three equivalent Li1+, two equivalent Mn2+, and one Co+3.33+ atom to form a mixture of edge and corner-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the fourth O2- site, O2- is bonded to three Li1+, one Mn2+, and two equivalent Co+3.33+ atoms to form a mixture of edge and corner-sharing OLi3MnCo2 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1678009
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Ce–Se bond distances ranging from 2.84–2.90 Å. In the second Ce4+ site, Ce4+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Ce–Se bond distances ranging from 2.85–2.88 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal planar geometry to three equivalent Ce4+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms. In the third Se2- site, Se2- is bonded in a distorted trigonal planar geometry to three Ce4+ atoms.
DOI: 10.17188/1678010
title: Materials Data on Ca8Mn7CrO21 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: 10.17188/1678011
title: Materials Data on Nd2As3Au by Materials Project

description: (NdAs)2AuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of two arsanylidyneneodymium molecules, one arsenic molecule, and one gold molecule.
DOI: 10.17188/1678012
title: Materials Data on NaHSeO3 by Materials Project

description: NaHSeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.41–2.51 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with three equivalent NaO6 octahedra, corners with two equivalent NaO5 trigonal bipyramids, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 62–80°. There are a spread of Na–O bond distances ranging from 2.35–2.69 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.70 Å) H–O bond length. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.86 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.84 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one H1+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one H1+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one H1+, and one Se4+ atom. In the fifth O2- site, O2- is bonded to three Na1+ and one Se4+ atom to form distorted corner-sharing ONa3Se tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Na1+, one H1+, and one Se4+ atom.
DOI: 10.17188/1678013
title: Materials Data on Li19Cr4P8O35F 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: 10.17188/1678014
title: Materials Data on MgB12(H2O)6 by Materials Project

description: MgO6(BH)12 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four boranediylradical molecules and two magnesium;dihydroxide;tetrahydrate molecules.
DOI: 10.17188/1678015
title: Materials Data on Na3CoO3 by Materials Project

description: Na3CoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.75 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.82 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.55 Å. Co3+ is bonded to four O2- atoms to form edge-sharing CoO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.80–1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Na1+ and one Co3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Na1+ and one Co3+ atom.
DOI: 10.17188/1678018
title: Materials Data on MgGa by Materials Project

description: MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.88 Å) and four longer (3.06 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Ga atoms. There are two shorter (2.84 Å) and two longer (3.00 Å) Mg–Ga bond lengths. In the third Mg site, Mg is bonded to four Ga atoms to form distorted edge-sharing MgGa4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.07 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Mg atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four Mg atoms.
DOI: 10.17188/1678019
title: Materials Data on ZnS 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: 10.17188/1678020
title: Materials Data on Li4CrFe3O8 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: 10.17188/1678021
title: Materials Data on K2FeAgF6 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: 10.17188/1678022
title: Materials Data on NiP(H4O3)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: 10.17188/1678023
title: Materials Data on Cr4InAgSe8 by Materials Project

description: Cr4AgInSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr3+ is bonded to six Se2- atoms to form CrSe6 octahedra that share corners with three equivalent AgSe4 tetrahedra, corners with three equivalent InSe4 tetrahedra, and edges with six equivalent CrSe6 octahedra. There are three shorter (2.52 Å) and three longer (2.61 Å) Cr–Se bond lengths. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ag–Se bond lengths are 2.63 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 61°. All In–Se bond lengths are 2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Cr3+ and one In3+ atom to form distorted SeCr3In tetrahedra that share corners with three equivalent SeCr3In tetrahedra, corners with nine equivalent SeCr3Ag trigonal pyramids, and edges with three equivalent SeCr3In tetrahedra. In the second Se2- site, Se2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted SeCr3Ag trigonal pyramids that share corners with nine equivalent SeCr3In tetrahedra, corners with three equivalent SeCr3Ag trigonal pyramids, and edges with three equivalent SeCr3Ag trigonal pyramids.