cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1718213
title: Materials Data on Y3(Ga2Cu)2 by Materials Project

description: Y3(CuGa2)2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are six inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 2.93 Å. There are a spread of Y–Ga bond distances ranging from 2.99–3.36 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 2.92 Å. There are a spread of Y–Ga bond distances ranging from 2.99–3.36 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are three shorter (2.96 Å) and three longer (3.09 Å) Y–Cu bond lengths. There are three shorter (3.01 Å) and three longer (3.37 Å) Y–Ga bond lengths. In the fourth Y site, Y is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are three shorter (2.98 Å) and three longer (3.11 Å) Y–Cu bond lengths. There are three shorter (3.00 Å) and three longer (3.37 Å) Y–Ga bond lengths. In the fifth Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 3.14 Å. There are six shorter (2.98 Å) and three longer (3.35 Å) Y–Ga bond lengths. In the sixth Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 3.14 Å. There are a spread of Y–Ga bond distances ranging from 2.97–3.34 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.49 Å) and one longer (3.23 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.49 Å) and one longer (3.23 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 9-coordinate geometry to six Y and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.49 Å. In the fourth Cu site, Cu is bonded in a 9-coordinate geometry to six Y and three equivalent Cu atoms. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Cu atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.54 Å. In the sixth Ga site, Ga is bonded in a 6-coordinate geometry to six Y, one Cu, and three equivalent Ga atoms. In the seventh Ga site, Ga is bonded in a 6-coordinate geometry to six Y, one Cu, and three equivalent Ga atoms. In the eighth Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms.
DOI: 10.17188/1718214
title: Materials Data on Mn5VO8 by Materials Project

description: VMn5O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with nine MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–57°. There are a spread of V–O bond distances ranging from 1.74–1.81 Å. There are five inequivalent Mn+2.20+ sites. In the first Mn+2.20+ site, Mn+2.20+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three MnO6 octahedra, corners with three equivalent VO4 tetrahedra, and edges with seven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Mn–O bond distances ranging from 2.18–2.27 Å. In the second Mn+2.20+ site, Mn+2.20+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–17°. There are a spread of Mn–O bond distances ranging from 2.24–2.27 Å. In the third Mn+2.20+ site, Mn+2.20+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent VO4 tetrahedra, and edges with seven MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–17°. There are a spread of Mn–O bond distances ranging from 2.16–2.28 Å. In the fourth Mn+2.20+ site, Mn+2.20+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two shorter (1.93 Å) and four longer (2.22 Å) Mn–O bond lengths. In the fifth Mn+2.20+ site, Mn+2.20+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.97 Å) and two longer (2.36 Å) Mn–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to six Mn+2.20+ atoms to form OMn6 octahedra that share a cornercorner with one OMn6 octahedra, corners with two equivalent OMn5 square pyramids, an edgeedge with one OMn6 octahedra, and edges with eight OMn5 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to five Mn+2.20+ atoms to form OMn5 square pyramids that share corners with two equivalent OMn6 octahedra, corners with three OMn5 square pyramids, edges with two equivalent OMn6 octahedra, and edges with five OMn5 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Mn+2.20+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one V5+ and three Mn+2.20+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Mn+2.20+ atoms. In the sixth O2- site, O2- is bonded to five Mn+2.20+ atoms to form OMn5 square pyramids that share corners with five OMn5 square pyramids, edges with three equivalent OMn6 octahedra, and edges with four OMn5 square pyramids.
DOI: 10.17188/1718215
title: Materials Data on Cs2RbYI6 by Materials Project

description: Cs2RbYI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form distorted CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent RbI6 octahedra, and faces with four equivalent YI6 octahedra. All Cs–I bond lengths are 4.62 Å. Rb1+ is bonded to six equivalent I1- atoms to form RbI6 octahedra that share corners with six equivalent YI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–I bond lengths are 3.50 Å. Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent RbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.03 Å. I1- is bonded in a linear geometry to four equivalent Cs1+, one Rb1+, and one Y3+ atom.
DOI: 10.17188/1718216
title: Materials Data on CsLiU(PS4)2 by Materials Project

description: CsLiU(PS4)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 4.23 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.60 Å) and three longer (3.61 Å) Cs–S bond lengths. Li1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Li–S bond distances ranging from 2.60–3.23 Å. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.76–2.92 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Cs1+, one Li1+, one U4+, and one P5+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Li1+, one U4+, and one P5+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two Cs1+, one U4+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted T-shaped geometry to one Li1+, one U4+, and one P5+ atom.
DOI: 10.17188/1718217
title: Materials Data on LaEuAl4 by Materials Project

description: EuLaAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Eu–La bond lengths are 3.53 Å. All Eu–Al bond lengths are 3.38 Å. La is bonded in a 12-coordinate geometry to four equivalent Eu and twelve equivalent Al atoms. All La–Al bond lengths are 3.38 Å. Al is bonded to three equivalent Eu, three equivalent La, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLa3Eu3Al6 cuboctahedra. All Al–Al bond lengths are 2.88 Å.
DOI: 10.17188/1718218
title: Materials Data on Er3Ge by Materials Project

description: Er3Ge is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Ge atoms to form distorted ErEr8Ge4 cuboctahedra that share corners with twelve equivalent ErEr8Ge4 cuboctahedra, edges with eight equivalent ErEr8Ge4 cuboctahedra, edges with eight equivalent GeEr12 cuboctahedra, faces with four equivalent GeEr12 cuboctahedra, and faces with ten equivalent ErEr8Ge4 cuboctahedra. There are four shorter (3.16 Å) and four longer (3.39 Å) Er–Er bond lengths. All Er–Ge bond lengths are 3.39 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Ge atoms. All Er–Ge bond lengths are 3.16 Å. Ge is bonded to twelve Er atoms to form GeEr12 cuboctahedra that share corners with four equivalent GeEr12 cuboctahedra, edges with eight equivalent GeEr12 cuboctahedra, edges with sixteen equivalent ErEr8Ge4 cuboctahedra, faces with four equivalent GeEr12 cuboctahedra, and faces with eight equivalent ErEr8Ge4 cuboctahedra.
DOI: 10.17188/1718219
title: Materials Data on LiTiSn(PO4)3 by Materials Project

description: LiTiSn(PO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.29 Å) and three longer (2.35 Å) Li–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.94 Å) and three longer (2.01 Å) Ti–O bond length. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.06 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 21–44°. There is one shorter (1.53 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ti4+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom.
DOI: 10.17188/1718220
title: Materials Data on Li3Ni3TeO8 by Materials Project

description: Li3Ni3TeO8 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with two equivalent TeO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are four shorter (2.15 Å) and two longer (2.24 Å) Li–O bond lengths. Ni3+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent TeO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with four equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are two shorter (2.02 Å) and four longer (2.11 Å) Ni–O bond lengths. Te4+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share edges with six equivalent LiO6 octahedra and edges with six equivalent NiO6 octahedra. All Te–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Ni3+ atoms to form OLi3Ni3 octahedra that share corners with six equivalent OLi3Ni3 octahedra and edges with twelve equivalent OLi2Ni2Te square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Li1+, two equivalent Ni3+, and one Te4+ atom to form OLi2Ni2Te square pyramids that share corners with nine equivalent OLi2Ni2Te square pyramids, edges with four equivalent OLi3Ni3 octahedra, and edges with four equivalent OLi2Ni2Te square pyramids.
DOI: 10.17188/1718221
title: Materials Data on SmZr6(PO4)9 by Materials Project

description: SmZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Sm3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Sm–O bond lengths are 2.43 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.24 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–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 corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–46°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is two shorter (1.52 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Zr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom.
DOI: 10.17188/1718222
title: Materials Data on U2C6NO14 by Materials Project

description: U2C6NO14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent U+3.50+ sites. In the first U+3.50+ site, U+3.50+ is bonded to seven O2- atoms to form distorted corner-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. In the second U+3.50+ site, U+3.50+ is bonded to seven O2- atoms to form distorted corner-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. There are six inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.23 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. In the third C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. In the fourth C4+ site, C4+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.23 Å. In the fifth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the sixth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of N–O bond distances ranging from 2.86–3.29 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+, one C4+, and one N3- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+, one C4+, and one N3- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U+3.50+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U+3.50+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U+3.50+ and one N3- atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two U+3.50+ and one N3- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+, one C4+, and one N3- atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U+3.50+ and one C4+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one U+3.50+, one C4+, and one N3- atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one U+3.50+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one U+3.50+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one N3- atom.
DOI: 10.17188/1718223
title: Materials Data on Ca2HgAu by Materials Project

description: Ca2AuHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2AuHg ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Au and one Hg atom. The Ca–Au bond length is 2.87 Å. The Ca–Hg bond length is 3.30 Å. Au is bonded in a linear geometry to two equivalent Ca atoms. Hg is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1718224
title: Materials Data on Lu3(GeRh)2 by Materials Project

description: Lu3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Lu–Rh bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.93–3.27 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Lu–Rh bond distances ranging from 2.87–3.07 Å. There are a spread of Lu–Ge bond distances ranging from 2.95–3.31 Å. Rh is bonded in a 9-coordinate geometry to six Lu and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.52–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Lu and four equivalent Rh atoms.
DOI: 10.17188/1718225
title: Materials Data on CsHg5Cl11 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: 10.17188/1718226
title: Materials Data on CeCuSi2 by Materials Project

description: CeCuSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and ten Si atoms. All Ce–Cu bond lengths are 3.18 Å. There are a spread of Ce–Si bond distances ranging from 3.12–3.20 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ce and five Si atoms. There are a spread of Cu–Si bond distances ranging from 2.34–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Ce, one Cu, and two equivalent Si atoms. Both Si–Si bond lengths are 2.38 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Cu atoms.
DOI: 10.17188/1718227
title: Materials Data on K2TlFeF6 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: 10.17188/1718229
title: Materials Data on SrPrAlO4 by Materials Project

description: SrPrAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.69 Å. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.69 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Al–O bond distances ranging from 1.89–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Pr3+, and one Al3+ atom to form distorted OSrPr4Al octahedra that share corners with seventeen OSr2Pr2Al2 octahedra, edges with eight OSrPr4Al octahedra, and faces with four equivalent OSr2Pr2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Pr3+, and one Al3+ atom to form distorted OSr4PrAl octahedra that share corners with seventeen OSr2Pr2Al2 octahedra, edges with eight OSrPr4Al octahedra, and faces with four equivalent OSr2Pr2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Pr3+, and two equivalent Al3+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Pr2Al2 octahedra. The corner-sharing octahedra tilt angles range from 8–55°.