cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1690750
title: Materials Data on Cs3NpH8O9 by Materials Project

description: Cs3Np(H3O4)2H2O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four water molecules and one Cs3Np(H3O4)2 framework. In the Cs3Np(H3O4)2 framework, there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (3.10 Å) and one longer (3.20 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to four H1+ and eight O2- atoms. There are two shorter (3.26 Å) and two longer (3.32 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.09–3.48 Å. Np7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.90–2.43 Å. There are three inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one Np7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one Np7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Np7+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Cs1+ and two H1+ atoms.
DOI: 10.17188/1690751
title: Materials Data on RbSO4 by Materials Project

description: RbSO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.31 Å. S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom.
DOI: 10.17188/1690752
title: Materials Data on LiVCoO4 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: 10.17188/1690753
title: Materials Data on Er2GeRh3 by Materials Project

description: Er2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine equivalent Rh and three equivalent Ge atoms. There are three shorter (2.90 Å) and six longer (3.19 Å) Er–Rh bond lengths. All Er–Ge bond lengths are 3.26 Å. Rh is bonded to six equivalent Er, four equivalent Rh, and two equivalent Ge atoms to form distorted RhEr6Ge2Rh4 cuboctahedra that share corners with four equivalent GeEr6Rh6 cuboctahedra, corners with fourteen equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent RhEr6Ge2Rh4 cuboctahedra, faces with six equivalent GeEr6Rh6 cuboctahedra, and faces with twelve equivalent RhEr6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.80 Å. Both Rh–Ge bond lengths are 2.55 Å. Ge is bonded to six equivalent Er and six equivalent Rh atoms to form distorted GeEr6Rh6 cuboctahedra that share corners with six equivalent GeEr6Rh6 cuboctahedra, corners with twelve equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent GeEr6Rh6 cuboctahedra, and faces with eighteen equivalent RhEr6Ge2Rh4 cuboctahedra.
DOI: 10.17188/1690754
title: Materials Data on Fe2Cl6O5 by Materials Project

description: FeOCl4FeCl2(O)4 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four dichloroiron;tetrahydrate molecules and four FeOCl4 clusters. In each FeOCl4 cluster, Fe is bonded in a tetrahedral geometry to four Cl atoms. There are a spread of Fe–Cl bond distances ranging from 2.18–2.30 Å. O is bonded in a water-like geometry to two Cl atoms. Both O–Cl bond lengths are 2.32 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted L-shaped geometry to one Fe and one O atom. In the second Cl site, Cl is bonded in a distorted L-shaped geometry to one Fe and one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Fe atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Fe atom.
DOI: 10.17188/1690755
title: Materials Data on Ca6Si6O19 by Materials Project

description: Ca6Si6O19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded to six O atoms to form distorted CaO6 octahedra that share corners with five SiO4 tetrahedra and edges with two equivalent CaO6 octahedra. There are a spread of Ca–O bond distances ranging from 2.31–2.47 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.79 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.68 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–66°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent CaO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–65°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one CaO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a 4-coordinate geometry to three Ca and one Si atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Ca and one Si atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and two Si atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to one Ca and two Si atoms. In the seventh O site, O is bonded to three Ca and one Si atom to form a mixture of distorted edge and corner-sharing OCa3Si trigonal pyramids. In the eighth O site, O is bonded to three Ca and one Si atom to form a mixture of distorted edge and corner-sharing OCa3Si tetrahedra. In the ninth O site, O is bonded to three Ca and one Si atom to form a mixture of distorted edge and corner-sharing OCa3Si tetrahedra. In the tenth O site, O is bonded in a trigonal non-coplanar geometry to three Ca atoms.
DOI: 10.17188/1690756
title: Materials Data on NiF2 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: 10.17188/1690757
title: Materials Data on Nb2SiTe4 by Materials Project

description: Nb2SiTe4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Nb2SiTe4 sheet oriented in the (0, 1, 0) direction. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded to six Te2- atoms to form a mixture of distorted edge and face-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.84–2.98 Å. In the second Nb2+ site, Nb2+ is bonded to six Te2- atoms to form a mixture of distorted edge and face-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.83–2.98 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a square co-planar geometry to four equivalent Te2- atoms. All Si–Te bond lengths are 2.73 Å. In the second Si4+ site, Si4+ is bonded in a square co-planar geometry to four Te2- atoms. All Si–Te bond lengths are 2.73 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three Nb2+ and one Si4+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three Nb2+ and one Si4+ atom.
DOI: 10.17188/1690758
title: Materials Data on Mn4B by Materials Project

description: Mn4B crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two equivalent B atoms. Both Mn–B bond lengths are 2.11 Å. In the second Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two equivalent B atoms. Both Mn–B bond lengths are 2.12 Å. In the third Mn site, Mn is bonded in a distorted water-like geometry to two equivalent B atoms. Both Mn–B bond lengths are 2.12 Å. In the fourth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two equivalent B atoms. Both Mn–B bond lengths are 2.12 Å. B is bonded in a 8-coordinate geometry to eight Mn atoms.
DOI: 10.17188/1690759
title: Materials Data on NaZn2CdF7 by Materials Project

description: NaCdZn2F7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.59 Å. Cd2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Cd–F bond distances ranging from 2.23–2.54 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. All Zn–F bond lengths are 2.05 Å. In the second Zn2+ site, Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are two shorter (2.04 Å) and four longer (2.07 Å) Zn–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to one Na1+, one Cd2+, and two Zn2+ atoms to form a mixture of distorted edge and corner-sharing FNaZn2Cd tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two equivalent Zn2+ atoms. In the fourth F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing FNa2Cd2 tetrahedra.
DOI: 10.17188/1690760
title: Materials Data on LiFeF4 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: 10.17188/1690761
title: Materials Data on ZnHg3(SCl2)2 by Materials Project

description: Hg3ZnS2Cl4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.44 Å. There are one shorter (2.54 Å) and two longer (2.86 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.54–2.88 Å. In the third Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.54–2.89 Å. Zn2+ is bonded in a tetrahedral geometry to one S2- and three Cl1- atoms. The Zn–S bond length is 2.21 Å. All Zn–Cl bond lengths are 2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Hg2+ and one Cl1- atom. The S–Cl bond length is 3.61 Å. In the second S2- site, S2- is bonded in a single-bond geometry to one Zn2+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Hg2+ and one S2- atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom.
DOI: 10.17188/1690762
title: Materials Data on Y3(Si3Ru)4 by Materials Project

description: Y3(RuSi3)4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to twelve Si2- atoms to form YSi12 cuboctahedra that share corners with four equivalent YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with eight equivalent YSi12 cuboctahedra, and faces with four equivalent RuSi7 hexagonal pyramids. There are a spread of Y–Si bond distances ranging from 3.03–3.10 Å. In the second Y3+ site, Y3+ is bonded to twelve Si2- atoms to form distorted YSi12 cuboctahedra that share corners with four equivalent YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with four equivalent YSi12 cuboctahedra, edges with two equivalent RuSi7 hexagonal pyramids, and faces with four equivalent YSi12 cuboctahedra. There are a spread of Y–Si bond distances ranging from 2.98–3.24 Å. There are two inequivalent Ru+3.75+ sites. In the first Ru+3.75+ site, Ru+3.75+ is bonded to seven Si2- atoms to form distorted RuSi7 hexagonal pyramids that share corners with six YSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with two equivalent YSi12 cuboctahedra, an edgeedge with one RuSi7 hexagonal pyramid, and faces with two equivalent YSi12 cuboctahedra. There are a spread of Ru–Si bond distances ranging from 2.37–2.53 Å. In the second Ru+3.75+ site, Ru+3.75+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are one shorter (2.34 Å) and four longer (2.41 Å) Ru–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 1-coordinate geometry to four equivalent Y3+, one Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to two equivalent Y3+, three equivalent Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.64 Å. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to three Y3+, two Ru+3.75+, and four Si2- atoms. There are one shorter (2.56 Å) and one longer (2.71 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 2-coordinate geometry to three Y3+, two Ru+3.75+, and four Si2- atoms.
DOI: 10.17188/1690763
title: Materials Data on LiMnF3 by Materials Project

description: LiMnF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (1.97 Å) and four longer (2.11 Å) Li–F bond lengths. Mn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Mn–F bond distances ranging from 2.15–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form distorted corner-sharing FLi2Mn2 tetrahedra.
DOI: 10.17188/1690764
title: Materials Data on K2TaAgF6 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: 10.17188/1690765
title: Materials Data on HoH8C2O8F by Materials Project

description: HoC2H4O6F(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one HoC2H4O6F framework. In the HoC2H4O6F framework, Ho3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ho–O bond distances ranging from 2.36–2.45 Å. Both Ho–F bond lengths are 2.17 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first 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 second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ho3+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ho3+ and two H1+ atoms. F1- is bonded in a linear geometry to two equivalent Ho3+ atoms.
DOI: 10.17188/1690766
title: Materials Data on Ce4FeSe6O 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: 10.17188/1690767
title: Materials Data on Li4Cr3CoO8 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: 10.17188/1690768
title: Materials Data on K2TmAgCl6 by Materials Project

description: K2TmAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent TmCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All K–Cl bond lengths are 3.76 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.59 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.73 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Tm3+, and one Ag1+ atom.
DOI: 10.17188/1690769
title: Materials Data on Li6V3P8O29 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: 10.17188/1690770
title: Materials Data on La3(MoO5)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: 10.25646/7939
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.17188/1690771
title: Materials Data on NiSeO3 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: 10.17188/1690773
title: Materials Data on K9Ni2O7 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: 10.17188/1690774
title: Materials Data on CaCoCu3Se4 by Materials Project

description: CaCoCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Ca–Se bond lengths are 2.76 Å. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Co–Se bond lengths are 2.36 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CoSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Se2- is bonded to one Ca2+, one Co2+, and three equivalent Cu+1.33+ atoms to form a mixture of distorted edge and corner-sharing SeCaCoCu3 trigonal bipyramids.