cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1734341
title: Materials Data on Ag2H8C2S2N5ClO3 by Materials Project

description: Ag2C2N4H8S2ClNO3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two nitric acid molecules and one Ag2C2N4H8S2Cl ribbon oriented in the (1, 0, 0) direction. In the Ag2C2N4H8S2Cl ribbon, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to two S2- and two equivalent Cl1- atoms to form distorted edge-sharing AgS2Cl2 trigonal pyramids. There are one shorter (2.48 Å) and one longer (2.49 Å) Ag–S bond lengths. There are one shorter (2.56 Å) and one longer (3.26 Å) Ag–Cl bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two equivalent Cl1- atoms. There are one shorter (2.46 Å) and one longer (2.47 Å) Ag–S bond lengths. There are one shorter (2.89 Å) and one longer (3.02 Å) Ag–Cl bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N+1.40- and one S2- atom. Both C–N bond lengths are 1.33 Å. The C–S bond length is 1.75 Å. In the second C4+ site, C4+ is bonded in a distorted trigonal planar geometry to two N+1.40- and one S2- atom. Both C–N bond lengths are 1.33 Å. The C–S bond length is 1.75 Å. There are four inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N+1.40- site, N+1.40- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N+1.40- site, N+1.40- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N+1.40- site, N+1.40- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.40- atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one C4+ atom. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to two Ag1+ and one C4+ atom. Cl1- is bonded in a 4-coordinate geometry to four Ag1+ atoms.
DOI: 10.17188/1734342
title: Materials Data on Tb2CdCu2 by Materials Project

description: Tb2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Tb–Cu bond lengths. All Tb–Cd bond lengths are 3.36 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.53 Å. Both Cu–Cd bond lengths are 3.07 Å. Cd is bonded to eight equivalent Tb and four equivalent Cu atoms to form a mixture of face and corner-sharing CdTb8Cu4 cuboctahedra.
DOI: 10.17188/1734343
title: Materials Data on Mn3Co2Te3O16 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: 10.17188/1734345
title: Materials Data on CuSbPd2 by Materials Project

description: Pd2CuSb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2CuSb ribbons oriented in the (1, 0, 0) direction. Pd is bonded in a linear geometry to one Cu and one Sb atom. The Pd–Cu bond length is 2.45 Å. The Pd–Sb bond length is 2.40 Å. Cu is bonded in a linear geometry to two equivalent Pd atoms. Sb is bonded in a linear geometry to two equivalent Pd atoms.
DOI: 10.17188/1734346
title: Materials Data on In3Ga3N5 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: 10.17188/1734347
title: Materials Data on Al8(SiO6)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1734348
title: Materials Data on Cr5Se8 by Materials Project

description: Cr5Se8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cr+3.20+ sites. In the first Cr+3.20+ site, Cr+3.20+ is bonded to six Se2- atoms to form a mixture of face and corner-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are four shorter (2.56 Å) and two longer (2.58 Å) Cr–Se bond lengths. In the second Cr+3.20+ site, Cr+3.20+ is bonded to six Se2- atoms to form a mixture of face, edge, and corner-sharing CrSe6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Cr–Se bond distances ranging from 2.45–2.59 Å. In the third Cr+3.20+ site, Cr+3.20+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are a spread of Cr–Se bond distances ranging from 2.46–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Cr+3.20+ atoms to form a mixture of distorted edge and corner-sharing SeCr4 trigonal pyramids. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three Cr+3.20+ atoms. In the third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Cr+3.20+ atoms.
DOI: 10.17188/1734349
title: Materials Data on Zr(Zn10Fe)2 by Materials Project

description: Zr(FeZn10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to sixteen Zn atoms. There are four shorter (3.03 Å) and twelve longer (3.07 Å) Zr–Zn bond lengths. Fe is bonded to twelve Zn atoms to form FeZn12 cuboctahedra that share corners with six equivalent FeZn12 cuboctahedra, edges with eighteen equivalent ZnZrZn10Fe cuboctahedra, and faces with six equivalent ZnZrZn10Fe cuboctahedra. There are six shorter (2.48 Å) and six longer (2.73 Å) Fe–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Fe and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.76 Å. In the second Zn site, Zn is bonded to one Zr, one Fe, and ten Zn atoms to form ZnZrZn10Fe cuboctahedra that share corners with fifteen equivalent ZnZrZn10Fe cuboctahedra, edges with two equivalent ZnZrZn10Fe cuboctahedra, edges with three equivalent FeZn12 cuboctahedra, a faceface with one FeZn12 cuboctahedra, and faces with fifteen equivalent ZnZrZn10Fe cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.98 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Zr and twelve equivalent Zn atoms.
DOI: 10.17188/1734350
title: Materials Data on FeNiSe4 by Materials Project

description: FeNiSe4 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to six Se+1.75- atoms to form FeSe6 octahedra that share corners with four equivalent FeSe6 octahedra and corners with eight equivalent NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 61–64°. There are a spread of Fe–Se bond distances ranging from 2.37–2.41 Å. Ni4+ is bonded to six Se+1.75- atoms to form NiSe6 octahedra that share corners with four equivalent NiSe6 octahedra and corners with eight equivalent FeSe6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are four shorter (2.46 Å) and two longer (2.49 Å) Ni–Se bond lengths. There are two inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded in a 3-coordinate geometry to one Fe3+ and two equivalent Ni4+ atoms. In the second Se+1.75- site, Se+1.75- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one Ni4+ atom.
DOI: 10.17188/1734351
title: Materials Data on V(PO3)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1734352
title: Materials Data on CsCaH2N9O by Materials Project

description: CsCaN9H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to eleven N+0.33-, one H1+, and one O2- atom. There are a spread of Cs–N bond distances ranging from 3.24–3.69 Å. The Cs–H bond length is 3.26 Å. The Cs–O bond length is 3.41 Å. Ca2+ is bonded to six N+0.33- and one O2- atom to form edge-sharing CaN6O pentagonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.45–2.60 Å. The Ca–O bond length is 2.43 Å. There are nine inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Ca2+, and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.19 Å. In the third N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Cs1+, one Ca2+, and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one Cs1+, two equivalent Ca2+, and one N+0.33- atom. The N–N bond length is 1.20 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.17 Å. In the sixth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Ca2+ and one N+0.33- atom. In the seventh N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Ca2+, and one N+0.33- atom. The N–N bond length is 1.19 Å. In the eighth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to two equivalent Cs1+ and two N+0.33- atoms. The N–N bond length is 1.18 Å. In the ninth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one N+0.33- atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one Cs1+, one Ca2+, and two H1+ atoms.
DOI: 10.25318/1410037901-eng
title: Employment by industry, three-month moving average, unadjusted for seasonality

description: Number of employees by North American Industry Classification System (NAICS) and census metropolitan area, last 5 months.
DOI: 10.17188/1734353
title: Materials Data on LiVSiO4 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: 10.17188/1734354
title: Materials Data on Sm2(Al3Co)3 by Materials Project

description: Sm2Co3Al9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Sm–Al bond distances ranging from 3.00–3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.51–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.53–2.57 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Al atoms. All Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sm, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.84 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sm, three Co, and four Al atoms. Both Al–Al bond lengths are 2.92 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Co, and six Al atoms. The Al–Al bond length is 2.72 Å.
DOI: 10.17188/1734355
title: Materials Data on Cr2Ni2H64N13Cl11O12 by Materials Project

description: (Cr(NH3)6)4(NiH12(O3Cl)2)4(NH4)2(Cl2)7 crystallizes in the cubic Fd-3 space group. The structure is three-dimensional and consists of eight ammonium molecules, fifty-six hydrochloric acid molecules, sixteen Cr(NH3)6 clusters, and one NiH12(O3Cl)2 framework. In each Cr(NH3)6 cluster, Cr is bonded in an octahedral geometry to six equivalent N atoms. All Cr–N bond lengths are 2.10 Å. N is bonded in a distorted trigonal non-coplanar geometry to one Cr and three H atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N atom. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the NiH12(O3Cl)2 framework, Ni is bonded in an octahedral geometry to six equivalent O atoms. All Ni–O bond lengths are 2.06 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O and one Cl atom. The H–O bond length is 0.99 Å. The H–Cl bond length is 2.09 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted trigonal planar geometry to one Ni and two H atoms. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent H atoms.
DOI: 10.17188/1734356
title: Materials Data on Li4V3CoO10 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: 10.17188/1734357
title: Materials Data on SrCa3(SnO3)4 by Materials Project

description: SrCa3(SnO3)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.87 Å. There are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.88 Å. In the second Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.81 Å. In the third Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.82 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Sn–O bond distances ranging from 2.08–2.11 Å. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–35°. There are two shorter (2.09 Å) and four longer (2.10 Å) Sn–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, one Ca2+, and two equivalent Sn4+ atoms to form distorted corner-sharing OSrCaSn2 tetrahedra. In the second O2- site, O2- is bonded to one Sr2+, one Ca2+, and two equivalent Sn4+ atoms to form distorted corner-sharing OSrCaSn2 tetrahedra. In the third O2- site, O2- is bonded to two Ca2+ and two equivalent Sn4+ atoms to form distorted corner-sharing OCa2Sn2 tetrahedra. In the fourth O2- site, O2- is bonded to two Ca2+ and two equivalent Sn4+ atoms to form distorted corner-sharing OCa2Sn2 tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Ca2+, and two Sn4+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Ca2+, and two Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+ and two Sn4+ atoms. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two Ca2+, and two Sn4+ atoms.
DOI: 10.17188/1734358
title: Materials Data on Li5V3P8O29 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: 10.17188/1734359
title: Materials Data on Li2VCrP2(HO5)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: 10.17188/1734360
title: Materials Data on V3(O2F)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: 10.17188/1734361
title: Materials Data on KPbN 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: 10.17188/1734362
title: Materials Data on Li2CrO3 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: 10.17188/1734363
title: Materials Data on AsC4N2F17 by Materials Project

description: C4AsN2F17 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two C4AsN2F17 clusters. there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded to one N2- and three F1- atoms to form corner-sharing CNF3 tetrahedra. The C–N bond length is 1.54 Å. There is one shorter (1.32 Å) and two longer (1.34 Å) C–F bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N2- and one F1- atom. There is one shorter (1.32 Å) and one longer (1.35 Å) C–N bond length. The C–F bond length is 1.32 Å. In the third C4+ site, C4+ is bonded in a tetrahedral geometry to one N2- and three F1- atoms. The C–N bond length is 1.45 Å. There is one shorter (1.33 Å) and two longer (1.36 Å) C–F bond length. In the fourth C4+ site, C4+ is bonded to one N2- and three F1- atoms to form corner-sharing CNF3 tetrahedra. The C–N bond length is 1.53 Å. All C–F bond lengths are 1.33 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.81 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a trigonal planar geometry to three C4+ atoms. In the second N2- site, N2- is bonded in a distorted bent 120 degrees geometry to two C4+ and one F1- atom. The N–F bond length is 3.08 Å. There are twelve inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ and one F1- atom. The F–F bond length is 2.78 Å. In the third F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one N2- and three F1- atoms. There are one shorter (2.18 Å) and one longer (2.94 Å) F–F bond lengths. In the eighth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one F1- atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one C4+ and one F1- atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.
DOI: 10.17188/1734364
title: Materials Data on Mn2O3 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: 10.17188/1735613
title: Materials Data on BePbO3 by Materials Project

description: BePbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.83 Å. Pb4+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Pb–O bond lengths are 2.58 Å. O2- is bonded in a linear geometry to two equivalent Be2+ and four equivalent Pb4+ atoms.