cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1750092
title: Materials Data on Ni(NO2)4 by Materials Project

description: Ni(NO2)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Ni(NO2)4 sheets oriented in the (1, 0, 0) direction. Ni4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.03–2.13 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one N3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one N3+ atom.
DOI: 10.17188/1750093
title: Materials Data on Tb2Fe17C by Materials Project

description: Tb2Fe17C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a distorted single-bond geometry to fourteen Fe and one C atom. There are a spread of Tb–Fe bond distances ranging from 3.01–3.32 Å. The Tb–C bond length is 2.53 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to eight Fe and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.42–2.73 Å. The Fe–C bond length is 1.84 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.76 Å. In the third Fe site, Fe is bonded in a single-bond geometry to seven Fe and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.47–2.64 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded to three equivalent Tb and nine Fe atoms to form FeTb3Fe9 cuboctahedra that share corners with twelve FeTb3Fe9 cuboctahedra, corners with two equivalent CTb2Fe4 octahedra, edges with six FeTb3Fe9 cuboctahedra, faces with seven FeTb3Fe9 cuboctahedra, and a faceface with one CTb2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 65–70°. There are a spread of Fe–Fe bond distances ranging from 2.46–2.65 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to one Tb and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.62 Å. In the sixth Fe site, Fe is bonded to two equivalent Tb and ten Fe atoms to form FeTb2Fe10 cuboctahedra that share corners with eight FeTb3Fe9 cuboctahedra, corners with two equivalent CTb2Fe4 octahedra, edges with four equivalent FeTb3Fe9 cuboctahedra, and faces with eight FeTb3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. In the seventh Fe site, Fe is bonded to two equivalent Tb and ten Fe atoms to form FeTb2Fe10 cuboctahedra that share corners with twelve FeTb3Fe9 cuboctahedra, edges with four equivalent FeTb3Fe9 cuboctahedra, faces with eight FeTb3Fe9 cuboctahedra, and faces with two equivalent CTb2Fe4 octahedra. C is bonded to two equivalent Tb and four Fe atoms to form CTb2Fe4 octahedra that share corners with ten FeTb2Fe10 cuboctahedra and faces with eight FeTb3Fe9 cuboctahedra.
DOI: 10.17188/1750094
title: Materials Data on K2ZnS2 by Materials Project

description: K2ZnS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.20–3.61 Å. Zn2+ is bonded to four equivalent S2- atoms to form edge-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.40 Å. S2- is bonded in a 2-coordinate geometry to six equivalent K1+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1750095
title: Materials Data on Lu3Mg2CrS8 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: 10.17188/1750096
title: Materials Data on Be2BH3O5 by Materials Project

description: Be2BH3O5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.65 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.67 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. 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 distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.62 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.59 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Be2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to one Be2+ and three H1+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom.
DOI: 10.17188/1750097
title: Materials Data on Ga5(GeN3)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: 10.17188/1750098
title: Materials Data on Mn2OF3 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: 10.17188/1750099
title: Materials Data on La3RuBr3 by Materials Project

description: La3RuBr3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. La is bonded to two equivalent Ru and four equivalent Br atoms to form a mixture of edge and corner-sharing LaRu2Br4 octahedra. The corner-sharing octahedra tilt angles range from 5–9°. Both La–Ru bond lengths are 2.87 Å. There are two shorter (3.15 Å) and two longer (3.26 Å) La–Br bond lengths. Ru is bonded to six equivalent La atoms to form edge-sharing RuLa6 octahedra. Br is bonded in a rectangular see-saw-like geometry to four equivalent La atoms.
DOI: 10.17188/1750100
title: Materials Data on BH5NCl by Materials Project

description: BNH5Cl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four BNH5Cl clusters. B3+ is bonded in a tetrahedral geometry to one N3-, two equivalent H+0.20+, and one Cl1- atom. The B–N bond length is 1.59 Å. Both B–H bond lengths are 1.21 Å. The B–Cl bond length is 1.90 Å. N3- is bonded in a tetrahedral geometry to one B3+ and three H+0.20+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H+0.20+ sites. In the first H+0.20+ site, H+0.20+ is bonded in a single-bond geometry to one N3- atom. In the second H+0.20+ site, H+0.20+ is bonded in a single-bond geometry to one N3- atom. In the third H+0.20+ site, H+0.20+ is bonded in a single-bond geometry to one B3+ atom. Cl1- is bonded in a single-bond geometry to one B3+ atom.
DOI: 10.17188/1750101
title: Materials Data on ZrAlCo4 by Materials Project

description: ZrCo4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent Al atoms. All Zr–Co bond lengths are 2.80 Å. All Zr–Al bond lengths are 2.93 Å. Co is bonded to three equivalent Zr, six equivalent Co, and three equivalent Al atoms to form a mixture of edge, corner, and face-sharing CoZr3Al3Co6 cuboctahedra. There are three shorter (2.36 Å) and three longer (2.42 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.80 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms.
DOI: 10.17188/1750102
title: Materials Data on Eu3W by Materials Project

description: Eu3W crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent W atoms. There are two shorter (3.44 Å) and two longer (3.73 Å) Eu–W bond lengths. W is bonded to twelve equivalent Eu atoms to form a mixture of corner and face-sharing WEu12 cuboctahedra.
DOI: 10.17188/1750103
title: Materials Data on UH42C14S7Cl4O7 by Materials Project

description: (US7O7Cl)2(CH3)28(Cl2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve hydrochloric acid molecules, fifty-six methane molecules, and four US7O7Cl clusters. In each US7O7Cl cluster, U6+ is bonded in a 8-coordinate geometry to seven O2- and one Cl1- atom. There are a spread of U–O bond distances ranging from 2.31–2.45 Å. The U–Cl bond length is 2.70 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.54 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. In the sixth S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. In the seventh S2- site, S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one S2- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one S2- atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one S2- atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one S2- atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S2- atom. Cl1- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1750104
title: Materials Data on Na3TmBr6 by Materials Project

description: Na3TmBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Br1- atoms to form NaBr6 octahedra that share corners with six equivalent TmBr6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Na–Br bond distances ranging from 2.92–3.06 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to seven Br1- atoms. There are a spread of Na–Br bond distances ranging from 3.00–3.70 Å. Tm3+ is bonded to six Br1- atoms to form TmBr6 octahedra that share corners with six equivalent NaBr6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Tm–Br bond distances ranging from 2.76–2.79 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to three Na1+ and one Tm3+ atom. In the second Br1- site, Br1- is bonded to three Na1+ and one Tm3+ atom to form distorted corner-sharing BrNa3Tm trigonal pyramids. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to four Na1+ and one Tm3+ atom.
DOI: 10.17188/1750105
title: Materials Data on Cs2FeCl5O by Materials Project

description: Cs2FeOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.68 Å. There are eight shorter (3.62 Å) and one longer (3.95 Å) Cs–Cl bond lengths. In the second Cs site, Cs is bonded in a distorted q6 geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.60–3.83 Å. Fe is bonded in an octahedral geometry to one O and five Cl atoms. The Fe–O bond length is 1.79 Å. There are one shorter (2.29 Å) and four longer (2.40 Å) Fe–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Fe atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Fe atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four Cs and one Fe atom.
DOI: 10.17188/1750106
title: Materials Data on Na2TiO3 by Materials Project

description: Na2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent NaO6 octahedra, edges with five equivalent TiO6 octahedra, and edges with seven equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are a spread of Na–O bond distances ranging from 2.18–2.53 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent NaO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with ten equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.00 Å) and two longer (2.13 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–25°.
DOI: 10.17188/1750107
title: Materials Data on SrHfS3 by Materials Project

description: SrHfS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.99–3.40 Å. Hf4+ is bonded to six S2- atoms to form corner-sharing HfS6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There are a spread of Hf–S bond distances ranging from 2.53–2.56 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Hf4+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and two equivalent Hf4+ atoms to form distorted corner-sharing SSr2Hf2 tetrahedra.
DOI: 10.17188/1750108
title: Materials Data on Rb2TlHgF6 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: 10.17188/1750109
title: Materials Data on Na3Zn by Materials Project

description: Na3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Zn atoms to form distorted NaNa8Zn4 cuboctahedra that share corners with twelve equivalent NaNa8Zn4 cuboctahedra, edges with eight equivalent ZnNa12 cuboctahedra, edges with sixteen equivalent NaNa8Zn4 cuboctahedra, faces with four equivalent ZnNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Zn4 cuboctahedra. All Na–Na bond lengths are 3.44 Å. All Na–Zn bond lengths are 3.44 Å. Zn is bonded to twelve equivalent Na atoms to form ZnNa12 cuboctahedra that share corners with twelve equivalent ZnNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Zn4 cuboctahedra, faces with six equivalent ZnNa12 cuboctahedra, and faces with twelve equivalent NaNa8Zn4 cuboctahedra.
DOI: 10.17188/1750110
title: Materials Data on Ba3YbIrRuO9 by Materials Project

description: Ba3YbRuIrO9 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent IrO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one IrO6 octahedra, faces with three equivalent YbO6 octahedra, and faces with three equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Ba–O bond distances ranging from 2.95–3.08 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, a faceface with one RuO6 octahedra, faces with three equivalent YbO6 octahedra, and faces with three equivalent IrO6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of Ba–O bond distances ranging from 2.94–3.11 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with two equivalent YbO6 octahedra, faces with three equivalent RuO6 octahedra, and faces with three equivalent IrO6 octahedra. All Ba–O bond lengths are 2.98 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with three equivalent RuO6 octahedra, corners with three equivalent IrO6 octahedra, and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are three shorter (2.23 Å) and three longer (2.26 Å) Yb–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent YbO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one IrO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There is three shorter (1.92 Å) and three longer (2.07 Å) Ru–O bond length. Ir4+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent YbO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There is three shorter (1.95 Å) and three longer (2.04 Å) Ir–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Ru5+, and one Ir4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Yb3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Yb3+, and one Ir4+ atom.
DOI: 10.17188/1750111
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. The S–Zn bond length is 2.34 Å. In the third S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) S–Zn bond lengths. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.
DOI: 10.17188/1750112
title: Materials Data on PrSO by Materials Project

description: PrSO is Hazelwoodite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr4+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Pr–S bond lengths are 3.13 Å. There are two shorter (2.36 Å) and two longer (2.49 Å) Pr–O bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Pr4+ and two equivalent S2- atoms. There are one shorter (2.07 Å) and one longer (2.59 Å) S–S bond lengths. O2- is bonded to four equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1750114
title: Materials Data on Pr2EuSe4 by Materials Project

description: EuPr2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent Se2- atoms to form distorted EuSe8 hexagonal bipyramids that share corners with eight equivalent PrSe8 hexagonal bipyramids, edges with four equivalent EuSe8 hexagonal bipyramids, and faces with eight equivalent PrSe8 hexagonal bipyramids. There are four shorter (3.07 Å) and four longer (3.25 Å) Eu–Se bond lengths. Pr3+ is bonded to eight equivalent Se2- atoms to form distorted PrSe8 hexagonal bipyramids that share corners with four equivalent EuSe8 hexagonal bipyramids, corners with four equivalent PrSe8 hexagonal bipyramids, edges with four equivalent PrSe8 hexagonal bipyramids, faces with four equivalent EuSe8 hexagonal bipyramids, and faces with four equivalent PrSe8 hexagonal bipyramids. There are a spread of Pr–Se bond distances ranging from 3.02–3.22 Å. Se2- is bonded to two equivalent Eu2+ and four equivalent Pr3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePr4Eu2 octahedra. The corner-sharing octahedra tilt angles range from 16–50°.