cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1698956
title: Materials Data on In2AgSe3Br by Materials Project

description: AgIn2Se3Br is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to three equivalent Se2- and one Br1- atom to form AgSe3Br trigonal pyramids that share corners with twelve InSe6 octahedra. The corner-sharing octahedra tilt angles range from 46–65°. All Ag–Se bond lengths are 2.62 Å. The Ag–Br bond length is 3.02 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent AgSe3Br trigonal pyramids and edges with six equivalent InSe4Br2 octahedra. All In–Se bond lengths are 2.80 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- and two equivalent Br1- atoms to form InSe4Br2 octahedra that share corners with six equivalent AgSe3Br trigonal pyramids and edges with six InSe6 octahedra. All In–Se bond lengths are 2.74 Å. Both In–Br bond lengths are 2.96 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Ag1+ and three In3+ atoms. Br1- is bonded in a rectangular see-saw-like geometry to one Ag1+ and three equivalent In3+ atoms.
DOI: 10.17188/1698957
title: Materials Data on GdMgHg2 by Materials Project

description: MgGdHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Mg–Hg bond lengths are 3.13 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Gd–Hg bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Gd atoms.
DOI: 10.17188/1698958
title: Materials Data on TaIn(CuSe2)2 by Materials Project

description: TaIn(CuSe2)2 is beta beryllia-derived structured and crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent Se2- atoms to form TaSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Ta–Se bond lengths are 2.46 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent TaSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent InSe4 tetrahedra. All Cu–Se bond lengths are 2.46 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent TaSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent InSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. In1+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent TaSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All In–Se bond lengths are 2.89 Å. Se2- is bonded to one Ta5+, two Cu1+, and one In1+ atom to form distorted corner-sharing SeTaInCu2 tetrahedra.
DOI: 10.17188/1698959
title: Materials Data on MnV2O4 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: 10.17188/1698960
title: Materials Data on MgB3O13 by Materials Project

description: MgB3O13 is beta Polonium structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two MgB3O13 clusters. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.94–2.58 Å. There are three inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.34–1.42 Å. In the second B site, B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.43–1.53 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one B atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mg and one B atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one B atom. In the sixth O site, O is bonded in a single-bond geometry to one Mg atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.33 Å. In the ninth O site, O is bonded in a water-like geometry to one Mg and one B atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the eleventh O site, O is bonded in a water-like geometry to two B atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the thirteenth O site, O is bonded in a water-like geometry to two B atoms.
DOI: 10.17188/1698961
title: Materials Data on MgH22SO15 by Materials Project

description: Mg(H2O)6(H2O)5SO4 is beta Plutonium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two magnesium;hexahydrate molecules, two sulfuric acid molecules, and ten water molecules.
DOI: 10.17188/1698962
title: Materials Data on TmSbO4 by Materials Project

description: TmSbO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.89 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.16–2.60 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Sb–O bond distances ranging from 1.96–2.04 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tm3+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tm3+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Tm3+ and one Sb5+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one Sb5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to three Tm3+ and one Sb5+ atom.
DOI: 10.17188/1698963
title: Materials Data on Ca(TmTe2)2 by Materials Project

description: Ca(TmTe2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Ca2+ is bonded to six Te2- atoms to form CaTe6 octahedra that share corners with six equivalent TmTe6 octahedra, edges with two equivalent CaTe6 octahedra, and edges with six TmTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are two shorter (3.14 Å) and four longer (3.19 Å) Ca–Te bond lengths. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share corners with six equivalent CaTe6 octahedra, edges with two equivalent CaTe6 octahedra, and edges with six TmTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are two shorter (3.00 Å) and four longer (3.07 Å) Tm–Te bond lengths. In the second Tm3+ site, Tm3+ is bonded to six Te2- atoms to form TmTe6 octahedra that share edges with four equivalent CaTe6 octahedra and edges with six TmTe6 octahedra. There are four shorter (3.07 Å) and two longer (3.09 Å) Tm–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ca2+ and three Tm3+ atoms to form a mixture of corner and edge-sharing TeCa2Tm3 square pyramids. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to one Ca2+ and three Tm3+ atoms.
DOI: 10.17188/1698964
title: Materials Data on Sr3Co2WO9 by Materials Project

description: Sr3WCo2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, faces with two equivalent WO6 octahedra, and faces with six CoO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.71–2.90 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, faces with three equivalent WO6 octahedra, and faces with five CoO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.70–2.93 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six CoO6 octahedra and faces with eight SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.93 Å) and four longer (1.94 Å) W–O bond length. There are three inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent WO6 octahedra, and faces with eight SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.87 Å) and four longer (2.02 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent WO6 octahedra, and faces with eight SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Co–O bond distances ranging from 1.98–2.06 Å. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six CoO6 octahedra and faces with eight SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (1.91 Å) and two longer (2.10 Å) Co–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+, one W6+, and one Co3+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+, one W6+, and one Co3+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one W6+, and one Co3+ atom. In the fifth O2- site, O2- is bonded to four Sr2+ and two Co3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1698965
title: Materials Data on NdHo3 by Materials Project

description: Ho3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with twelve equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.57 Å. All Ho–Nd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent HoNd4Ho8 cuboctahedra, corners with eight equivalent NdHo12 cuboctahedra, edges with twenty-four HoNd4Ho8 cuboctahedra, faces with six equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra. All Ho–Nd bond lengths are 3.57 Å. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with eight equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 cuboctahedra.
DOI: 10.17188/1698967
title: Materials Data on BaYCuSe3 by Materials Project

description: BaCuYSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.29–3.69 Å. Y3+ is bonded to six Se2- atoms to form YSe6 octahedra that share corners with two equivalent YSe6 octahedra, edges with two equivalent YSe6 octahedra, and edges with four equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.85 Å) and four longer (2.90 Å) Y–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra and edges with four equivalent YSe6 octahedra. There are two shorter (2.48 Å) and two longer (2.54 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Ba2+, two equivalent Y3+, and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1698968
title: Materials Data on K2YCuCl6 by Materials Project

description: K2YCuCl6 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 YCl6 octahedra, and faces with four equivalent CuCl6 octahedra. All K–Cl bond lengths are 3.66 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Cl bond lengths are 2.63 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent YCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Y3+, and one Cu1+ atom.
DOI: 10.17188/1698969
title: Materials Data on Li7MnCo3(PO4)6 by Materials Project

description: Li7MnCo3(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.71 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.77 Å. In the third Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.12 Å) and three longer (2.65 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.04 Å) and three longer (2.13 Å) Mn–O bond lengths. There are three inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.92 Å) and three longer (2.06 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.94 Å) and three longer (2.05 Å) Co–O bond length. In the third Co3+ site, Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.99 Å) and three longer (2.09 Å) Co–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with three CoO6 octahedra. The corner-sharing octahedra tilt angles range from 29–41°. There are a spread of P–O bond distances ranging from 1.51–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with three CoO6 octahedra. The corner-sharing octahedra tilt angles range from 26–41°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one Mn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Mn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Co3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Co3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Li1+, one Co3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Co3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Li1+, one Co3+, and one P5+ atom.
DOI: 10.17188/1698970
title: Materials Data on KNd(WO4)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: 10.17188/1698971
title: Materials Data on NaV2O5 by Materials Project

description: NaV2O5 crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one NaV2O5 sheet oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.45 Å. V+4.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na1+ and one V+4.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V+4.50+ atoms.
DOI: 10.17188/1698972
title: Materials Data on Sm3BWO9 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: 10.17188/1698973
title: Materials Data on V(CO)6 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: 10.17188/1698974
title: Materials Data on Th2Zn17 by Materials Project

description: Th2Zn17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.18–3.49 Å. In the second Th site, Th is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Th–Zn bond distances ranging from 3.14–3.43 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to one Th and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.97 Å. In the second Zn site, Zn is bonded to two equivalent Th and ten Zn atoms to form ZnTh2Zn10 cuboctahedra that share corners with twenty-two ZnTh2Zn10 cuboctahedra, edges with ten ZnTh3Zn9 cuboctahedra, and faces with eighteen ZnTh2Zn10 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.67 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to two Th and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.62–2.76 Å. In the fourth Zn site, Zn is bonded to three Th and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnTh3Zn9 cuboctahedra. Both Zn–Zn bond lengths are 2.56 Å.
DOI: 10.17188/1698975
title: Materials Data on YbPrO3 by Materials Project

description: PrYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded to six O2- atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Yb–O bond distances ranging from 2.23–2.33 Å. Pr3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Pr2 trigonal pyramids. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Pr3+ atoms to form a mixture of distorted edge and corner-sharing OYb2Pr2 trigonal pyramids.