cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316538
title: Materials Data on Er3As by Materials Project

description: Er3As is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Er–As bond lengths are 3.25 Å. As is bonded to twelve equivalent Er atoms to form a mixture of corner and face-sharing AsEr12 cuboctahedra.
DOI: 10.17188/1316539
title: Materials Data on V3Cd by Materials Project

description: V3Cd crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded to eight V and four equivalent Cd atoms to form distorted VV8Cd4 cuboctahedra that share corners with four equivalent CdV12 cuboctahedra, corners with fourteen VV8Cd4 cuboctahedra, edges with six equivalent CdV12 cuboctahedra, edges with twelve VV8Cd4 cuboctahedra, faces with four equivalent CdV12 cuboctahedra, and faces with sixteen VV8Cd4 cuboctahedra. There are a spread of V–V bond distances ranging from 2.56–3.09 Å. There are two shorter (2.83 Å) and two longer (2.87 Å) V–Cd bond lengths. In the second V site, V is bonded to eight V and four equivalent Cd atoms to form distorted VV8Cd4 cuboctahedra that share corners with four equivalent CdV12 cuboctahedra, corners with fourteen VV8Cd4 cuboctahedra, edges with six equivalent CdV12 cuboctahedra, edges with twelve VV8Cd4 cuboctahedra, faces with four equivalent CdV12 cuboctahedra, and faces with sixteen VV8Cd4 cuboctahedra. Both V–V bond lengths are 2.69 Å. There are two shorter (2.83 Å) and two longer (2.87 Å) V–Cd bond lengths. In the third V site, V is bonded to eight V and four equivalent Cd atoms to form distorted VV8Cd4 cuboctahedra that share corners with four equivalent CdV12 cuboctahedra, corners with fourteen VV8Cd4 cuboctahedra, edges with six equivalent CdV12 cuboctahedra, edges with twelve VV8Cd4 cuboctahedra, faces with four equivalent CdV12 cuboctahedra, and faces with sixteen VV8Cd4 cuboctahedra. There are a spread of V–V bond distances ranging from 2.56–3.09 Å. There are two shorter (2.83 Å) and two longer (2.87 Å) V–Cd bond lengths. Cd is bonded to twelve V atoms to form CdV12 cuboctahedra that share corners with six equivalent CdV12 cuboctahedra, corners with twelve VV8Cd4 cuboctahedra, edges with eighteen VV8Cd4 cuboctahedra, faces with eight equivalent CdV12 cuboctahedra, and faces with twelve VV8Cd4 cuboctahedra.
DOI: 10.17188/1316540
title: Materials Data on UGePt by Materials Project

description: UPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of U–Pt bond distances ranging from 2.94–3.25 Å. There are a spread of U–Ge bond distances ranging from 3.07–3.24 Å. Pt is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.58–2.77 Å. Ge is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Pt atoms.
DOI: 10.17188/1316541
title: Materials Data on MgIn5 by Materials Project

description: MgIn5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten In atoms to form distorted MgMg2In10 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, edges with twelve InIn12 cuboctahedra, faces with four equivalent MgMg2In10 cuboctahedra, and faces with twelve InIn12 cuboctahedra. Both Mg–Mg bond lengths are 3.30 Å. There are a spread of Mg–In bond distances ranging from 3.33–3.38 Å. There are five inequivalent In sites. In the first In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with eighteen InIn12 cuboctahedra, edges with six InMg4In8 cuboctahedra, edges with eight equivalent MgMg2In10 cuboctahedra, faces with two equivalent MgMg2In10 cuboctahedra, and faces with eight InIn12 cuboctahedra. There are a spread of In–In bond distances ranging from 3.30–3.47 Å. In the second In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with eighteen InIn12 cuboctahedra, edges with four equivalent MgMg2In10 cuboctahedra, edges with six InIn12 cuboctahedra, faces with four equivalent MgMg2In10 cuboctahedra, and faces with eight InIn12 cuboctahedra. There are a spread of In–In bond distances ranging from 3.30–3.39 Å. In the third In site, In is bonded to two equivalent Mg and ten In atoms to form distorted InMg2In10 cuboctahedra that share corners with eighteen InIn12 cuboctahedra, edges with six InIn12 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with eight InIn12 cuboctahedra. There are a spread of In–In bond distances ranging from 3.30–3.36 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and six In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Mg and six In atoms.
DOI: 10.17188/1316542
title: Materials Data on Ba4Nd4Zn3PtO15 by Materials Project

description: Ba4Nd4PtZn3O15 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.38 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent PtO6 octahedra and faces with three equivalent ZnO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.77–3.27 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form distorted NdO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and faces with two equivalent NdO6 octahedra. There are three shorter (2.33 Å) and three longer (2.53 Å) Nd–O bond lengths. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.67 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with three equivalent ZnO4 tetrahedra and faces with two equivalent BaO12 cuboctahedra. There are three shorter (2.04 Å) and three longer (2.07 Å) Pt–O bond lengths. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one PtO6 octahedra, corners with two equivalent NdO6 octahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–69°. There are three shorter (1.95 Å) and one longer (2.09 Å) Zn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ba2+, two equivalent Nd3+, one Pt4+, and one Zn2+ atom to form a mixture of distorted face and corner-sharing OBa2Nd2ZnPt octahedra. The corner-sharing octahedra tilt angles range from 2–62°. In the second O2- site, O2- is bonded to three Ba2+, two equivalent Nd3+, and one Pt4+ atom to form a mixture of distorted face and corner-sharing OBa3Nd2Pt octahedra. The corner-sharing octahedra tilt angles range from 2–62°. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ba2+, two equivalent Nd3+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+, two equivalent Nd3+, and one Zn2+ atom.
DOI: 10.17188/1316543
title: Materials Data on K2LiAlF6 by Materials Project

description: K2LiAlF6 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 F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.82 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.14 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Al3+ atom.
DOI: 10.17188/1316544
title: Materials Data on CeYIn2 by Materials Project

description: CeYIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Ce–In bond lengths are 3.31 Å. Y is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Y–In bond lengths are 3.31 Å. In is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms.
DOI: 10.17188/1316545
title: Materials Data on CeYZn2 by Materials Project

description: CeYZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ce–Zn bond lengths are 3.13 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms.
DOI: 10.17188/1316546
title: Materials Data on BiH3 by Materials Project

description: BiH3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Bi1+ is bonded to twelve H+0.33- atoms to form a mixture of distorted corner, edge, and face-sharing BiH12 cuboctahedra. There are eight shorter (2.38 Å) and four longer (2.50 Å) Bi–H bond lengths. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded to four equivalent Bi1+ atoms to form a mixture of corner and edge-sharing HBi4 tetrahedra. In the second H+0.33- site, H+0.33- is bonded in a square co-planar geometry to four equivalent Bi1+ atoms.
DOI: 10.17188/1316547
title: Materials Data on CsGeO3 by Materials Project

description: CsGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Cs–O bond lengths are 2.87 Å. Ge is bonded to six equivalent O atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 2.03 Å. O is bonded to four equivalent Cs and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing OCs4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1316548
title: Materials Data on Ba(LuS2)2 by Materials Project

description: Ba(LuS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.35 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Lu–S bond distances ranging from 2.66–2.74 Å. In the second Lu3+ site, Lu3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra tilt angles range from 48–58°. There are a spread of Lu–S bond distances ranging from 2.69–2.75 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+ and three Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Lu3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Lu3+ atoms to form a mixture of distorted corner and edge-sharing SBa2Lu3 trigonal bipyramids.
DOI: 10.17188/1316549
title: Materials Data on Ca7(H6Cl)2 by Materials Project

description: Ca7(H6Cl)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are three shorter (2.23 Å) and six longer (2.53 Å) Ca–H bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to seven H1- and two equivalent Cl1- atoms. There are a spread of Ca–H bond distances ranging from 2.24–2.62 Å. Both Ca–Cl bond lengths are 2.92 Å. In the third Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to seven H1- and two equivalent Cl1- atoms. There are a spread of Ca–H bond distances ranging from 2.30–2.40 Å. Both Ca–Cl bond lengths are 2.96 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded to four Ca2+ atoms to form HCa4 tetrahedra that share corners with four ClCa6 pentagonal pyramids, corners with two equivalent HCa5 square pyramids, corners with ten HCa4 tetrahedra, an edgeedge with one ClCa6 pentagonal pyramid, edges with four equivalent HCa5 square pyramids, and edges with three HCa4 tetrahedra. In the second H1- site, H1- is bonded to four Ca2+ atoms to form HCa4 tetrahedra that share corners with two equivalent ClCa6 pentagonal pyramids, corners with two equivalent HCa5 square pyramids, corners with twelve HCa4 tetrahedra, edges with three ClCa6 pentagonal pyramids, edges with two equivalent HCa5 square pyramids, and edges with three HCa4 tetrahedra. In the third H1- site, H1- is bonded to five Ca2+ atoms to form distorted HCa5 square pyramids that share corners with four ClCa6 pentagonal pyramids, corners with four equivalent HCa5 square pyramids, corners with eight HCa4 tetrahedra, an edgeedge with one ClCa6 pentagonal pyramid, edges with four equivalent HCa5 square pyramids, and edges with seven HCa4 tetrahedra. In the fourth H1- site, H1- is bonded to four Ca2+ atoms to form HCa4 tetrahedra that share corners with two equivalent ClCa6 pentagonal pyramids, corners with four equivalent HCa5 square pyramids, corners with ten HCa4 tetrahedra, edges with three ClCa6 pentagonal pyramids, an edgeedge with one HCa5 square pyramid, and edges with four HCa4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six equivalent Ca2+ atoms to form distorted ClCa6 pentagonal pyramids that share corners with six equivalent HCa5 square pyramids, corners with twelve HCa4 tetrahedra, edges with twelve HCa4 tetrahedra, and faces with two equivalent ClCa6 pentagonal pyramids. In the second Cl1- site, Cl1- is bonded to six equivalent Ca2+ atoms to form distorted ClCa6 pentagonal pyramids that share corners with six equivalent HCa5 square pyramids, corners with twelve HCa4 tetrahedra, edges with three equivalent HCa5 square pyramids, edges with nine HCa4 tetrahedra, and faces with two equivalent ClCa6 pentagonal pyramids.
DOI: 10.17188/1316550
title: Materials Data on Er2(SO4)3 by Materials Project

description: Er2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.20–2.24 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 6–33°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom.
DOI: 10.17188/1316551
title: Materials Data on PPb3 by Materials Project

description: Pb3P crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded in a 10-coordinate geometry to eight equivalent Pb and two equivalent P atoms. There are a spread of Pb–Pb bond distances ranging from 3.26–3.49 Å. Both Pb–P bond lengths are 3.35 Å. P is bonded in a 6-coordinate geometry to six equivalent Pb atoms.
DOI: 10.17188/1316552
title: Materials Data on Fe3H by Materials Project

description: Fe3H crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Fe3H ribbons oriented in the (0, 0, 1) direction. Fe is bonded in a distorted water-like geometry to two equivalent H atoms. Both Fe–H bond lengths are 2.31 Å. H is bonded in a 6-coordinate geometry to six equivalent Fe atoms.
DOI: 10.17188/1316553
title: Materials Data on Dy2IrAu by Materials Project

description: Dy2IrAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Au atoms. All Dy–Ir bond lengths are 3.04 Å. All Dy–Au bond lengths are 3.04 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1316554
title: Materials Data on Na3Re by Materials Project

description: Na3Re is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a distorted see-saw-like geometry to four equivalent Re atoms. There are two shorter (3.29 Å) and two longer (3.31 Å) Na–Re bond lengths. Re is bonded to twelve equivalent Na atoms to form a mixture of face and corner-sharing ReNa12 cuboctahedra.
DOI: 10.17188/1316555
title: Materials Data on K3IO5 by Materials Project

description: K3O5I crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded to twelve O atoms to form distorted KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, faces with four equivalent KO12 cuboctahedra, faces with four equivalent KO5 square pyramids, and faces with four equivalent IO5 square pyramids. There are four shorter (3.17 Å) and eight longer (3.31 Å) K–O bond lengths. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent O atoms. All K–O bond lengths are 2.87 Å. In the third K site, K is bonded to five O atoms to form KO5 square pyramids that share corners with five equivalent IO5 square pyramids and faces with four equivalent KO12 cuboctahedra. There are one shorter (2.55 Å) and four longer (2.63 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five K and one I atom. The O–I bond length is 1.88 Å. In the second O site, O is bonded to five K and one I atom to form a mixture of distorted edge and corner-sharing OK5I octahedra. The corner-sharing octahedral tilt angles are 7°. The O–I bond length is 1.82 Å. I is bonded to five O atoms to form distorted IO5 square pyramids that share corners with five equivalent KO5 square pyramids and faces with four equivalent KO12 cuboctahedra.
DOI: 10.17188/1316556
title: Materials Data on RbSm(CO3)2 by Materials Project

description: RbSm(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.02 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.36–2.57 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Sm3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Sm3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, two equivalent Sm3+, and one C4+ atom.
DOI: 10.17188/1316557
title: Materials Data on CsCaO3 by Materials Project

description: CsCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All Cs–O bond lengths are 3.31 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.34 Å. O is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Ca atoms.
DOI: 10.17188/1316558
title: Materials Data on Sr3(AlP2)2 by Materials Project

description: Sr3(AlP2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form distorted SrP6 octahedra that share corners with seven SrP6 octahedra, corners with six equivalent AlP4 tetrahedra, edges with six equivalent SrP6 octahedra, edges with three equivalent AlP4 tetrahedra, and a faceface with one SrP6 octahedra. The corner-sharing octahedra tilt angles range from 17–64°. There are a spread of Sr–P bond distances ranging from 3.02–3.52 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form SrP6 octahedra that share corners with ten equivalent SrP6 octahedra, corners with four equivalent AlP4 tetrahedra, edges with two equivalent SrP6 octahedra, edges with four equivalent AlP4 tetrahedra, and faces with two equivalent SrP6 octahedra. The corner-sharing octahedra tilt angles range from 29–64°. There are four shorter (3.04 Å) and two longer (3.18 Å) Sr–P bond lengths. Al3+ is bonded to four P3- atoms to form AlP4 tetrahedra that share corners with eight SrP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with five SrP6 octahedra, and an edgeedge with one AlP4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–85°. There are a spread of Al–P bond distances ranging from 2.39–2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Sr2+ and two equivalent Al3+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Al3+ atoms.