cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4477641
title: New Cladosporium species from normal and galled flowers of Lamiaceae

description: Alignments and philogenetic trees underlying the figures presented in : "<strong>New <em>Cladosporium</em> species from normal and galled flowers of Lamiaceae"</strong>
DOI: 10.5281/zenodo.4477640
title: New Cladosporium species from normal and galled flowers of Lamiaceae

description: Alignments and philogenetic trees underlying the figures presented in : "<strong>New <em>Cladosporium</em> species from normal and galled flowers of Lamiaceae"</strong>
DOI: 10.17188/1200440
title: Materials Data on RbZn13 by Materials Project

description: RbZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All Rb–Zn bond lengths are 3.62 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms. All Zn–Zn bond lengths are 2.68 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Rb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.96 Å.
DOI: 10.6084/m9.figshare.13661255
title: Supporting Material - Wildfire deteriorates surface water quality: when, why, and to what extent?

description: Supporting material data for the data embedded into the manuscript "Wildfire deteriorates surface water quality: when, why, and to what extent?"
DOI: 10.6084/m9.figshare.13661255.v1
title: Supporting Material - Wildfire deteriorates surface water quality: when, why, and to what extent?

description: Supporting material data for the data embedded into the manuscript "Wildfire deteriorates surface water quality: when, why, and to what extent?"
DOI: 10.17188/1200451
title: Materials Data on Sr2NiMoO6 by Materials Project

description: Sr2NiMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent MoO6 octahedra, and faces with four equivalent NiO6 octahedra. All Sr–O bond lengths are 2.82 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.94 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Mo6+, and one Ni2+ atom.
DOI: 10.17188/1200464
title: Materials Data on GaS by Materials Project

description: GaS is black P-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of four GaS sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Ga–S bond lengths are 2.36 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms.
DOI: 10.17188/1200474
title: Materials Data on Mo(CO)6 by Materials Project

description: Mo(CO)6 is Cubic alpha N2-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twenty-four formaldehyde molecules and four molybdenum(6+) molecules.
DOI: 10.17188/1200481
title: Materials Data on ThRh3 by Materials Project

description: ThRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing ThRh12 cuboctahedra. All Th–Rh bond lengths are 2.93 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Th atoms.
DOI: 10.17188/1200487
title: Materials Data on NiBiO3 by Materials Project

description: BiNiO3 is Orthorhombic Perovskite structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are four shorter (2.07 Å) and two longer (2.13 Å) Ni–O bond lengths. In the second Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–42°. There are a spread of Ni–O bond distances ranging from 2.07–2.11 Å. In the third Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 37–46°. There are a spread of Ni–O bond distances ranging from 2.06–2.14 Å. In the fourth Ni3+ site, Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 37–43°. There are a spread of Ni–O bond distances ranging from 2.07–2.13 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.88 Å. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ni3+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ni3+ and three Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ni3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two Ni3+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded to two Ni3+ and two Bi3+ atoms to form distorted corner-sharing ONi2Bi2 trigonal pyramids. In the sixth O2- site, O2- is bonded to two Ni3+ and two Bi3+ atoms to form distorted corner-sharing ONi2Bi2 trigonal pyramids.
DOI: 10.17188/1200488
title: Materials Data on LaNiO2 by Materials Project

description: LaNiO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.61 Å. Ni1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 2.00 Å. O2- is bonded to four equivalent La3+ and two equivalent Ni1+ atoms to form a mixture of corner, edge, and face-sharing OLa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°.
DOI: 10.17188/1200490
title: Materials Data on Sr2Ni(NO2)6 by Materials Project

description: (Sr(NO2)3)2Ni crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four nickel molecules and one Sr(NO2)3 framework. In the Sr(NO2)3 framework, Sr2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. All Sr–O bond lengths are 2.77 Å. N3+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 1.73 Å. O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent N3+ atoms.
DOI: 10.17188/1200491
title: Materials Data on TaN by Materials Project

description: TaN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing TaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–N bond lengths are 2.21 Å. N3- is bonded to six equivalent Ta3+ atoms to form a mixture of edge and corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200492
title: Materials Data on ZrHg by Materials Project

description: ZrHg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Zr is bonded to eight equivalent Hg atoms to form a mixture of distorted face, edge, and corner-sharing ZrHg8 cuboctahedra. All Zr–Hg bond lengths are 3.11 Å. Hg is bonded to eight equivalent Zr atoms to form a mixture of distorted face, edge, and corner-sharing HgZr8 cuboctahedra.
DOI: 10.7302/j6bs-t936
title: Computed tomography voxel dataset for ummz:herps:116965-CHRYSOPELEA PARADISI-Skull
DOI: 10.17188/1200495
title: Materials Data on NiPb2(NO2)6 (SG:225) 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: 10.17188/1200500
title: Materials Data on PbF2 by Materials Project

description: PbF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.43–2.67 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1200507
title: Materials Data on AsPd5 by Materials Project

description: Pd5As crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded to ten Pd and two equivalent As atoms to form distorted PdAs2Pd10 cuboctahedra that share corners with seven equivalent PdAs2Pd10 cuboctahedra, edges with ten PdAsPd11 cuboctahedra, and faces with eleven PdAs2Pd10 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.77–2.96 Å. There are one shorter (2.55 Å) and one longer (2.66 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 1-coordinate geometry to nine Pd and one As atom. There are a spread of Pd–Pd bond distances ranging from 2.85–2.94 Å. The Pd–As bond length is 2.50 Å. In the third Pd site, Pd is bonded to eleven Pd and one As atom to form distorted PdAsPd11 cuboctahedra that share corners with two equivalent PdAsPd11 cuboctahedra, edges with twelve PdAs2Pd10 cuboctahedra, and faces with twelve PdAsPd11 cuboctahedra. There are one shorter (2.75 Å) and one longer (2.87 Å) Pd–Pd bond lengths. The Pd–As bond length is 2.51 Å. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to nine Pd and two equivalent As atoms. There are one shorter (2.89 Å) and two longer (2.99 Å) Pd–Pd bond lengths. Both Pd–As bond lengths are 2.52 Å. As is bonded in a 8-coordinate geometry to eight Pd atoms.
DOI: 10.17188/1200514
title: Materials Data on As2Pt by Materials Project

description: PtAs2 is pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent As1+ atoms to form corner-sharing PtAs6 octahedra. The corner-sharing octahedral tilt angles are 64°. All Pt–As bond lengths are 2.53 Å. As1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.
DOI: 10.17188/1200529
title: Materials Data on CrPt3 by Materials Project

description: Pt3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr6+ is bonded to twelve equivalent Pt2- atoms to form CrPt12 cuboctahedra that share corners with twelve equivalent CrPt12 cuboctahedra, edges with twenty-four equivalent PtCr4Pt8 cuboctahedra, faces with six equivalent CrPt12 cuboctahedra, and faces with twelve equivalent PtCr4Pt8 cuboctahedra. All Cr–Pt bond lengths are 2.77 Å. Pt2- is bonded to four equivalent Cr6+ and eight equivalent Pt2- atoms to form distorted PtCr4Pt8 cuboctahedra that share corners with twelve equivalent PtCr4Pt8 cuboctahedra, edges with eight equivalent CrPt12 cuboctahedra, edges with sixteen equivalent PtCr4Pt8 cuboctahedra, faces with four equivalent CrPt12 cuboctahedra, and faces with fourteen equivalent PtCr4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.77 Å.
DOI: 10.17188/1200537
title: Materials Data on BaVPO6 by Materials Project

description: BaVPO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.21 Å. V5+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with three equivalent PO4 tetrahedra and an edgeedge with one VO6 octahedra. There are a spread of V–O bond distances ranging from 1.66–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–62°. There are a spread of P–O bond distances ranging from 1.52–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one V5+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one V5+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+, one V5+, and one P5+ atom.
DOI: 10.17188/1200539
title: Materials Data on YZn by Materials Project

description: YZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Y–Zn bond lengths are 3.11 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1200545
title: Materials Data on Ca2Si by Materials Project

description: Ca2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CaSi4 tetrahedra. There are three shorter (2.99 Å) and one longer (3.07 Å) Ca–Si bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to three equivalent Si4- atoms. There are one shorter (3.11 Å) and two longer (3.25 Å) Ca–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to seven Ca2+ atoms.
DOI: 10.17188/1200559
title: Materials Data on Nd2WO6 by Materials Project

description: Nd2WO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.86 Å. 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 2.30–2.81 Å. In the third 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 2.39–2.54 Å. W6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.84–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one W6+ atom. In the second O2- site, O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share corners with six ONd4 tetrahedra and edges with four ONd3W tetrahedra. In the third O2- site, O2- is bonded to three Nd3+ and one W6+ atom to form a mixture of edge and corner-sharing ONd3W tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd3+ and one W6+ atom.
DOI: 10.17188/1200561
title: Materials Data on Er2WO6 by Materials Project

description: Er2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.43 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.30–2.49 Å. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.52 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.89–2.06 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom. In the second O2- site, O2- is bonded to three Er3+ and one W6+ atom to form distorted corner-sharing OEr3W tetrahedra. In the third O2- site, O2- is bonded to three Er3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OEr3W tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Er3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one W6+ atom.
DOI: 10.17188/1200562
title: Materials Data on La2(WO4)3 by Materials Project

description: La2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.60 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one La3+ and two equivalent W6+ atoms.
DOI: 10.17188/1200563
title: Materials Data on BeTe by Materials Project

description: BeTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Te2- atoms to form corner-sharing BeTe4 tetrahedra. All Be–Te bond lengths are 2.45 Å. Te2- is bonded to four equivalent Be2+ atoms to form corner-sharing TeBe4 tetrahedra.
DOI: 10.17188/1200564
title: Materials Data on TmSb by Materials Project

description: TmSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing TmSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Sb bond lengths are 3.07 Å. Sb3- is bonded to six equivalent Tm3+ atoms to form a mixture of edge and corner-sharing SbTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1200565
title: Materials Data on Bi(PdO2)2 by Materials Project

description: BiPd2O4 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BiPd2O4 sheet oriented in the (0, 0, 1) direction. Pd3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.01 Å. Bi2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.25 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pd3+ and one Bi2+ atom.
DOI: 10.17188/1200566
title: Materials Data on Cu5(Si2O7)2 by Materials Project

description: Cu5(Si2O7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cu+2.40+ sites. In the first Cu+2.40+ site, Cu+2.40+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.82–1.97 Å. In the second Cu+2.40+ site, Cu+2.40+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.86–1.93 Å. In the third Cu+2.40+ site, Cu+2.40+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.95 Å) Cu–O bond length. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu+2.40+ and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Cu+2.40+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu+2.40+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu+2.40+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu+2.40+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu+2.40+ and one Si4+ atom.
DOI: 10.17188/1200567
title: Materials Data on BiO2 by Materials Project

description: BiO2 crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of four BiO2 ribbons oriented in the (1, 0, 0) direction. Bi is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.24 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Bi atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Bi atoms.
DOI: 10.17188/1200568
title: Materials Data on NbO2 by Materials Project

description: NbO2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbO2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Nb–O bond lengths are 2.10 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent Nb4+ atoms.