cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1267074
title: Materials Data on NdBi2ClO4 by Materials Project

description: Bi2NdO4Cl is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.47 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.26 Å. All Bi–Cl bond lengths are 3.45 Å. O2- is bonded to two equivalent Nd3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing ONd2Bi2 tetrahedra. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.17188/1267075
title: Materials Data on Pr2BiO2 by Materials Project

description: Pr2BiO2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Pr–Bi bond lengths are 3.71 Å. All Pr–O bond lengths are 2.36 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. O is bonded to four equivalent Pr atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.
DOI: 10.17188/1267076
title: Materials Data on Na4CO4 by Materials Project

description: Na4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.16–2.29 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.50 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of C–O bond distances ranging from 1.37–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a T-shaped geometry to two equivalent Na1+ and one C4+ atom.
DOI: 10.17188/1267077
title: Materials Data on Ba2TaBiO6 by Materials Project

description: Ba2BiTaO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.31 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–20°. There are four shorter (2.01 Å) and two longer (2.02 Å) Ta–O bond lengths. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 15–20°. All Bi–O bond lengths are 2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Ba2+, one Ta5+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Ta5+, and one Bi3+ atom.
DOI: 10.17188/1267078
title: Materials Data on BaHf(PO4)2 by Materials Project

description: BaHf(PO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.86–3.18 Å. Hf4+ is bonded to six O2- atoms to form HfO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are two shorter (2.02 Å) and four longer (2.09 Å) Hf–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent HfO6 octahedra. The corner-sharing octahedra tilt angles range from 22–39°. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Hf4+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Hf4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one P5+ atom.
DOI: 10.17188/1267079
title: Materials Data on SnO by Materials Project

description: SnO is lead oxide structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of one SnO sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are one shorter (2.15 Å) and two longer (2.16 Å) Sn–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Sn2+ atoms.
DOI: 10.17188/1267080
title: Materials Data on UCdO4 by Materials Project

description: UCdO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with eight equivalent CdO6 octahedra and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are two shorter (1.97 Å) and four longer (2.17 Å) U–O bond lengths. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent UO6 octahedra and edges with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are four shorter (2.32 Å) and two longer (2.34 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Cd2+ atom.
DOI: 10.17188/1267081
title: Materials Data on Sr2CuO3 by Materials Project

description: Sr2CuO3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form a mixture of distorted corner, edge, and face-sharing SrO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.52–2.67 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (1.99 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form OSr4Cu2 octahedra that share corners with fourteen OSr4Cu2 octahedra, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded to five equivalent Sr2+ and one Cu2+ atom to form OSr5Cu octahedra that share corners with eleven OSr4Cu2 octahedra, edges with eight equivalent OSr5Cu octahedra, and faces with two equivalent OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1267082
title: Materials Data on Ba2BiSbO6 by Materials Project

description: Ba2BiSbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent BiO6 octahedra, and faces with four equivalent SbO6 octahedra. All Ba–O bond lengths are 3.07 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.32 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Bi3+, and one Sb5+ atom.
DOI: 10.17188/1267083
title: Materials Data on HgO by Materials Project

description: HgO is Halite, Rock Salt structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Hg2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing HgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Hg–O bond distances ranging from 2.44–2.49 Å. O2- is bonded to six equivalent Hg2+ atoms to form a mixture of edge and corner-sharing OHg6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1267084
title: Materials Data on K4CO4 by Materials Project

description: K4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.35–3.00 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.60 Å) and three longer (3.13 Å) K–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.44 Å) and three longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three equivalent K1+ and one C4+ atom.
DOI: 10.17188/1267085
title: Materials Data on BaCO3 by Materials Project

description: BaCO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two BaCO3 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.77 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. O2- is bonded in a single-bond geometry to two equivalent Ba2+ and one C4+ atom.
DOI: 10.17188/1267086
title: Materials Data on Ba2DyBiO6 by Materials Project

description: Ba2DyBiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent DyO6 octahedra, and faces with four equivalent BiO6 octahedra. All Ba–O bond lengths are 3.08 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–O bond lengths are 2.23 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent DyO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Dy3+, and one Bi5+ atom.
DOI: 10.17188/1267088
title: Materials Data on Ca3Cu2(BrO2)2 by Materials Project

description: Ca3Cu2O4Br2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ca3Cu2O4Br2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Ca–O bond lengths are 2.48 Å. All Ca–Br bond lengths are 3.09 Å. In the second Ca2+ site, Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.53 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- and one Br1- atom. All Cu–O bond lengths are 1.94 Å. The Cu–Br bond length is 3.02 Å. O2- is bonded to four Ca2+ and two equivalent Cu2+ atoms to form a mixture of edge, face, and corner-sharing OCa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. Br1- is bonded in a 5-coordinate geometry to four equivalent Ca2+ and one Cu2+ atom.
DOI: 10.17188/1267089
title: Materials Data on LiUO3 by Materials Project

description: LiUO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one UO3 framework. In the UO3 framework, U5+ is bonded to six equivalent O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.14 Å. O2- is bonded in a linear geometry to two equivalent U5+ atoms.
DOI: 10.17188/1267090
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the tetragonal I4_122 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1267091
title: Materials Data on PrBi2IO4 by Materials Project

description: PrBi2O4I is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.50 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.28 Å. All Bi–I bond lengths are 3.69 Å. O2- is bonded to two equivalent Pr3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.6084/m9.figshare.13664564
title: anno_dict

description: pickled annotation dictionary for use with the evolutionary pipeline
DOI: 10.6084/m9.figshare.13664564.v1
title: anno_dict

description: pickled annotation dictionary for use with the evolutionary pipeline
DOI: 10.17188/1267092
title: Materials Data on AgCNO by Materials Project

description: AgNCO crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of two AgNCO sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent C4+ and two equivalent O2- atoms. Both Ag–C bond lengths are 2.21 Å. Both Ag–O bond lengths are 2.57 Å. C4+ is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.25 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N3- atom.
DOI: 10.17188/1267123
title: Materials Data on Ba2NdRuO6 by Materials Project

description: Ba2NdRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent RuO6 octahedra. All Ba–O bond lengths are 3.05 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.32 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Nd3+, and one Ru5+ atom.
DOI: 10.17188/1267124
title: Materials Data on KSO4 by Materials Project

description: KSO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eleven O atoms. There are a spread of K–O bond distances ranging from 2.75–3.33 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.68 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent K and one S atom.
DOI: 10.17188/1267125
title: Materials Data on ZnSO4 by Materials Project

description: ZnSO4 is Cuprite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SO4 tetrahedra. All Zn–O bond lengths are 1.93 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra. All S–O bond lengths are 1.47 Å. O2- is bonded in a linear geometry to one Zn2+ and one S6+ atom.
DOI: 10.17188/1267126
title: Materials Data on Rb4CO4 by Materials Project

description: Rb4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–2.91 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.45 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one C4+ atom.
DOI: 10.17188/1267127
title: Materials Data on BaBiO3 by Materials Project

description: BaBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight BiO6 octahedra. All Ba–O bond lengths are 3.13 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.17 Å. In the second Bi site, Bi is bonded to six equivalent O atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.25 Å. O is bonded to four equivalent Ba and two Bi atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1267128
title: Materials Data on Ba3ZnN2O (SG:123) 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: 10.17188/1267129
title: Materials Data on SnO by Materials Project

description: SnO is lead oxide structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two SnO sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sn–O bond lengths are 2.26 Å. O2- is bonded to four equivalent Sn2+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra.
DOI: 10.17188/1267130
title: Materials Data on NaIO3 by Materials Project

description: NaIO3 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Na1+ and two equivalent I5+ atoms. Both O–I bond lengths are 1.98 Å. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent Na1+ atoms. I5+ is bonded in a linear geometry to two equivalent O2- atoms.
DOI: 10.17188/1267131
title: Materials Data on LuBi2BrO4 by Materials Project

description: LuBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.36 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.25 Å. All Bi–Br bond lengths are 3.49 Å. O2- is bonded to two equivalent Lu3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OLu2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.
DOI: 10.17188/1267132
title: Materials Data on Nd2TeO2 by Materials Project

description: Nd2O2Te crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Nd–Te bond lengths are 3.55 Å. All Nd–O bond lengths are 2.35 Å. Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent Nd3+ atoms. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.
DOI: 10.17188/1267133
title: Materials Data on AlPO4 by Materials Project

description: AlPO4 is Cuprite-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Al–O bond lengths are 1.74 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All P–O bond lengths are 1.53 Å. O2- is bonded in a linear geometry to one Al3+ and one P5+ atom.