cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1714795
title: Materials Data on H10IrC2(ClO)3 by Materials Project

description: IrC2H10(OCl)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one IrC2H10(OCl)3 cluster. Ir5+ is bonded to two O2- and four Cl1- atoms to form IrCl4O2 octahedra that share corners with two CH3O tetrahedra and an edgeedge with one IrCl4O2 octahedra. Both Ir–O bond lengths are 2.09 Å. There are a spread of Ir–Cl bond distances ranging from 2.34–2.39 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one IrCl4O2 octahedra. The corner-sharing octahedral tilt angles are 59°. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–O bond length is 1.46 Å. In the second C3- site, C3- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share a cornercorner with one IrCl4O2 octahedra. The corner-sharing octahedral tilt angles are 59°. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. There are ten 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 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. 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 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C3- atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ir5+, one C3-, and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ir5+, one C3-, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Ir5+ atoms.
DOI: 10.17188/1714796
title: Materials Data on K2Mo15Se19 by Materials Project

description: K2Mo15Se19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.29–3.92 Å. There are three inequivalent Mo+2.40+ sites. In the first Mo+2.40+ site, Mo+2.40+ is bonded in a see-saw-like geometry to four Se2- atoms. There are two shorter (2.56 Å) and two longer (2.61 Å) Mo–Se bond lengths. In the second Mo+2.40+ site, Mo+2.40+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.66 Å. In the third Mo+2.40+ site, Mo+2.40+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.73 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to one K1+ and three equivalent Mo+2.40+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to one K1+ and four Mo+2.40+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to one K1+ and three equivalent Mo+2.40+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+ and four Mo+2.40+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four Mo+2.40+ atoms.
DOI: 10.17188/1714797
title: Materials Data on Hf10(AlSi)3 by Materials Project

description: Hf10(AlSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to three equivalent Al and three equivalent Si atoms. All Hf–Al bond lengths are 2.84 Å. All Hf–Si bond lengths are 2.83 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to three equivalent Al and two equivalent Si atoms. There are two shorter (2.74 Å) and one longer (2.89 Å) Hf–Al bond lengths. Both Hf–Si bond lengths are 3.03 Å. In the third Hf site, Hf is bonded in a 5-coordinate geometry to two equivalent Al and three equivalent Si atoms. Both Hf–Al bond lengths are 3.04 Å. There are two shorter (2.73 Å) and one longer (2.91 Å) Hf–Si bond lengths. Al is bonded in a 9-coordinate geometry to nine Hf atoms. Si is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1714798
title: Materials Data on Li7Mn5O12 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: 10.17188/1714799
title: Materials Data on Li2Mn2FeO6 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: 10.17188/1714801
title: Materials Data on Li4Mn2Si4O13 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: 10.17188/1714802
title: Materials Data on TbSI by Materials Project

description: TbSI crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a distorted trigonal planar geometry to three S2- and six I1- atoms. All Tb–S bond lengths are 2.63 Å. There are a spread of Tb–I bond distances ranging from 3.64–3.68 Å. In the second Tb3+ site, Tb3+ is bonded in a trigonal planar geometry to three equivalent S2- and six equivalent I1- atoms. All Tb–S bond lengths are 2.63 Å. All Tb–I bond lengths are 3.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal planar geometry to three Tb3+ and six I1- atoms. There are four shorter (3.67 Å) and two longer (3.68 Å) S–I bond lengths. In the second S2- site, S2- is bonded in a trigonal planar geometry to three equivalent Tb3+ and six equivalent I1- atoms. All S–I bond lengths are 3.65 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to six Tb3+ and six S2- atoms to form a mixture of distorted face and edge-sharing ITb6S6 cuboctahedra. In the second I1- site, I1- is bonded to six equivalent Tb3+ and six equivalent S2- atoms to form a mixture of distorted face and edge-sharing ITb6S6 cuboctahedra.
DOI: 10.17188/1714803
title: Materials Data on Ba4NdMn3O12 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: 10.17188/1714805
title: Materials Data on YMg2Mn3S8 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: 10.17188/1714806
title: Materials Data on Y3TaO7 by Materials Project

description: Y3TaO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.63 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one YO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent YO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Y–O bond distances ranging from 2.21–2.50 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent YO7 pentagonal bipyramids, and edges with four equivalent YO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ta–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.
DOI: 10.17188/1714807
title: Materials Data on Cs4O3 by Materials Project

description: Cs4O3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to six equivalent O atoms. There are three shorter (2.91 Å) and three longer (3.59 Å) Cs–O bond lengths. O is bonded in a 4-coordinate geometry to eight equivalent Cs atoms.
DOI: 10.17188/1714809
title: Materials Data on Ba2YbMoO6 by Materials Project

description: Ba2YbMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 3.00 Å. Yb2+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.28 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Yb2+, and one Mo6+ atom.
DOI: 10.17188/1714810
title: Materials Data on K6OsN4 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: 10.17188/1714811
title: Materials Data on La4Cu3MoO12 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: 10.17188/1714812
title: Materials Data on AsOsSe by Materials Project

description: OsAsSe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os5+ is bonded to three equivalent As3- and three equivalent Se2- atoms to form distorted OsAs3Se3 octahedra that share corners with eight equivalent OsAs3Se3 octahedra, corners with three equivalent AsOs3Se tetrahedra, corners with three equivalent SeAsOs3 tetrahedra, and edges with two equivalent OsAs3Se3 octahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are one shorter (2.51 Å) and two longer (2.52 Å) Os–As bond lengths. There are one shorter (2.46 Å) and two longer (2.47 Å) Os–Se bond lengths. As3- is bonded to three equivalent Os5+ and one Se2- atom to form distorted AsOs3Se tetrahedra that share corners with three equivalent OsAs3Se3 octahedra, corners with four equivalent AsOs3Se tetrahedra, corners with nine equivalent SeAsOs3 tetrahedra, and an edgeedge with one AsOs3Se tetrahedra. The corner-sharing octahedra tilt angles range from 66–73°. The As–Se bond length is 2.59 Å. Se2- is bonded to three equivalent Os5+ and one As3- atom to form SeAsOs3 tetrahedra that share corners with three equivalent OsAs3Se3 octahedra, corners with four equivalent SeAsOs3 tetrahedra, corners with nine equivalent AsOs3Se tetrahedra, and an edgeedge with one SeAsOs3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–80°.
DOI: 10.17188/1714814
title: Materials Data on GeBiH8C2S4N by Materials Project

description: GeBiS4(CH3)2NH2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two dimethylazanium molecules and one GeBiS4 sheet oriented in the (0, 0, 1) direction. In the GeBiS4 sheet, Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. Bi3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Bi–S bond distances ranging from 2.64–3.51 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to one Ge4+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a distorted water-like geometry to one Ge4+ and two equivalent Bi3+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to one Ge4+ and one Bi3+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1714815
title: Materials Data on Li2MgSi by Materials Project

description: Li2MgSi crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent Li1+ and four equivalent Si4- atoms to form distorted LiLi4Si4 tetrahedra that share corners with sixteen MgSi4 tetrahedra and edges with six equivalent LiSi4 tetrahedra. All Li–Li bond lengths are 2.51 Å. All Li–Si bond lengths are 2.73 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form LiSi4 tetrahedra that share corners with eight equivalent LiSi4 tetrahedra, corners with eight MgSi4 tetrahedra, edges with two equivalent LiLi4Si4 tetrahedra, and edges with four equivalent MgSi4 tetrahedra. All Li–Si bond lengths are 2.75 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Si4- atoms. All Li–Si bond lengths are 3.03 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with sixteen LiLi4Si4 tetrahedra and edges with six equivalent MgSi4 tetrahedra. All Mg–Si bond lengths are 2.78 Å. In the second Mg2+ site, Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight LiLi4Si4 tetrahedra, corners with eight equivalent MgSi4 tetrahedra, edges with two equivalent MgSi4 tetrahedra, and edges with four equivalent LiSi4 tetrahedra. All Mg–Si bond lengths are 2.77 Å. Si4- is bonded in a distorted body-centered cubic geometry to seven Li1+ and four Mg2+ atoms.
DOI: 10.17188/1714816
title: Materials Data on Li4Cr3NiO8 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: 10.5281/zenodo.4443102
title: Adsorption kinetics data sets, compiled from the literature. As used in the research article "A revised pseudo-second order kinetic model for adsorption, sensitive to changes in adsorbate and adsorbent concentrations"

description: Data sets reporting experimental adsorption kinetics, compiled from the literature. These data sets were subjected to empirical analysis in the development of our revised pseudo-second order rate equation (the rPSO model) as discussed in the ChemRxiv pre-print "A Revised Pseudo-Second Order Kinetic Model for Adsorption, Sensitive to Changes in Sorbate and Sorbent Concentrations".
DOI: 10.17188/1714817
title: Materials Data on Na2YPWO8 by Materials Project

description: Na2YWPO8 is Esseneite-derived structured and crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.97 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.47 Å. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.81 Å) and two longer (1.83 Å) W–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Y3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Y3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Y3+, and one W6+ atom.
DOI: 10.17188/1714818
title: Materials Data on Ba3Na(SiO4)2 by Materials Project

description: NaBa3(SiO4)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent SiO4 tetrahedra. There are two shorter (2.39 Å) and four longer (2.40 Å) Na–O bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to seven O atoms. There are a spread of Ba–O bond distances ranging from 2.84–2.95 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.62–3.16 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent NaO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–23°. There is three shorter (1.64 Å) and one longer (1.66 Å) Si–O bond length. There are four 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 distorted T-shaped geometry to three Ba atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Na, four Ba, and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Na, four Ba, and one Si atom.
DOI: 10.17188/1714819
title: Materials Data on Li4Fe2Si4O13 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: 10.17188/1714820
title: Materials Data on Na4Eu2GeP4 by Materials Project

description: Na4Eu2GeP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 3.00–3.32 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.16 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with two equivalent GeP4 tetrahedra, corners with six NaP4 trigonal pyramids, and an edgeedge with one GeP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.84–3.07 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with two equivalent GeP4 tetrahedra, corners with four equivalent NaP4 trigonal pyramids, and an edgeedge with one GeP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.91–3.17 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Eu–P bond distances ranging from 3.01–3.17 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Eu–P bond distances ranging from 2.97–3.41 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with four NaP4 trigonal pyramids and edges with two NaP4 trigonal pyramids. There are a spread of Ge–P bond distances ranging from 2.36–2.44 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Eu2+, and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom.
DOI: 10.17188/1714821
title: Materials Data on CeMgSe3 by Materials Project

description: MgCeSe3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se2- atoms to form MgSe6 octahedra that share corners with nine equivalent CeSe6 octahedra, edges with three equivalent MgSe6 octahedra, and a faceface with one CeSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are three shorter (2.75 Å) and three longer (2.83 Å) Mg–Se bond lengths. Ce4+ is bonded to six equivalent Se2- atoms to form CeSe6 octahedra that share corners with nine equivalent MgSe6 octahedra, edges with three equivalent CeSe6 octahedra, and a faceface with one MgSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There are three shorter (2.87 Å) and three longer (2.88 Å) Ce–Se bond lengths. Se2- is bonded to two equivalent Mg2+ and two equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing SeCe2Mg2 trigonal pyramids.