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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is High-temperature superconductor-like structured and crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of W–O bond distances ranging from 1.84–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is High-temperature superconductor-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 9–12°. There are a spread of W–O bond distances ranging from 1.85–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W3O8 by Materials Project

W3O8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two equivalent WO6 octahedra, corners with three equivalent WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two equivalent WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of W–O bond distances ranging from 1.93–2.13 Å. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent WO7 pentagonal bipyramids, and edges with two equivalent WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.93 Å) and four longer (2.02 Å) W–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.33+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. There are a spread of W–O bond distances ranging from 1.85–2.04 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. There is one shorter (1.88 Å) and one longer (1.99 Å) O–W bond length. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO2 by Materials Project

WO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.04 Å) and four longer (2.11 Å) W–O bond lengths. O2- is bonded in a distorted trigonal planar geometry to three equivalent W4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W6+ is bonded to six equivalent O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.93 Å. O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is High-temperature superconductor-like structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.84–2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are a spread of W–O bond distances ranging from 1.87–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of W–O bond distances ranging from 1.88–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is High-temperature superconductor-like structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of W–O bond distances ranging from 1.85–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W3O8 by Materials Project

W3O8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two WO6 octahedra, corners with three WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of W–O bond distances ranging from 1.88–2.18 Å. In the second W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two WO6 octahedra, corners with three WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 43–44°. There are a spread of W–O bond distances ranging from 1.88–2.17 Å. In the third W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two WO6 octahedra, corners with three WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of W–O bond distances ranging from 1.99–2.14 Å. In the fourth W+5.33+ site, W+5.33+ is bonded to seven O2- atoms to form WO7 pentagonal bipyramids that share corners with two WO6 octahedra, corners with three WO7 pentagonal bipyramids, an edgeedge with one WO6 octahedra, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.88–2.13 Å. In the fifth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four WO7 pentagonal bipyramids, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of W–O bond distances ranging from 1.93–2.03 Å. In the sixth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four WO7 pentagonal bipyramids, and edges with two WO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of W–O bond distances ranging from 1.94–2.04 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three W+5.33+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the twelfth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the thirteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of W–O bond distances ranging from 1.88–1.99 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of W–O bond distances ranging from 1.88–1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two W6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two W6+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO2 by Materials Project

WO2 is Cyanogen Chloride-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two tungsten;dihydrate molecules. W4+ is bonded in a linear geometry to two equivalent O2- atoms. Both W–O bond lengths are 1.80 Å. O2- is bonded in a single-bond geometry to one W4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO3 by Materials Project

WO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two WO3 sheets oriented in the (0, 0, 1) direction. W6+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. There is two shorter (1.81 Å) and three longer (2.05 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W3O8 by Materials Project

W3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two W3O8 sheets oriented in the (1, 0, 0) direction. there are two inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form edge-sharing WO6 octahedra. All W–O bond lengths are 1.96 Å. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.95–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent W+5.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three W+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two W+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W2O5 by Materials Project

W2O5 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.85–2.08 Å. In the second W5+ site, W5+ is bonded to five O2- atoms to form corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.86–2.09 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent W5+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on WO2 by Materials Project

WO2 is Hydrophilite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of W–O bond distances ranging from 2.04–2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three W4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on W5O7 by Materials Project

W5O7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent W+2.80+ sites. In the first W+2.80+ site, W+2.80+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of W–O bond distances ranging from 2.12–2.32 Å. In the second W+2.80+ site, W+2.80+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are two shorter (2.22 Å) and four longer (2.57 Å) W–O bond lengths. In the third W+2.80+ site, W+2.80+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 2.00–2.62 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent W+2.80+ atoms. In the second O2- site, O2- is bonded to six W+2.80+ atoms to form distorted OW6 octahedra that share corners with two equivalent OW6 octahedra, corners with two equivalent OW5 square pyramids, edges with five equivalent OW6 octahedra, and edges with five equivalent OW5 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three W+2.80+ atoms. In the fourth O2- site, O2- is bonded to five W+2.80+ atoms to form distorted OW5 square pyramids that share corners with two equivalent OW6 octahedra, a cornercorner with one OW5 square pyramid, edges with five equivalent OW6 octahedra, and edges with two equivalent OW5 square pyramids. The corner-sharing octahedral tilt angles are 9°.

36 MATERIALS SCIENCE↗