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Title: Materials Data on Ge(WO3)6 by Materials Project

Abstract

Ge(WO3)6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are eight inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is one shorter (1.94 Å) and five longer (1.95 Å) W–O bond length. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.86–2.11 Å. In the third W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bond distances ranging from 1.87–2.10 Å. In the fourth W+5.33+ site, W+5.33+ 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 1.91–1.98 Å. In the fifth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bondmore » distances ranging from 1.86–2.11 Å. In the sixth W+5.33+ site, W+5.33+ 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 1.90–2.00 Å. In the seventh W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is four shorter (1.94 Å) and two longer (1.95 Å) W–O bond length. In the eighth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.92–2.10 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. In the second Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees 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. In the fourteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the sixteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the eighteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-694895
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ge(WO3)6; Ge-O-W
OSTI Identifier:
1284710
DOI:
https://doi.org/10.17188/1284710

Citation Formats

The Materials Project. Materials Data on Ge(WO3)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284710.
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The Materials Project. Materials Data on Ge(WO3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1284710
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The Materials Project. 2020. "Materials Data on Ge(WO3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1284710. https://www.osti.gov/servlets/purl/1284710. Pub date:Sat May 02 00:00:00 EDT 2020
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@article{osti_1284710,
title = {Materials Data on Ge(WO3)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge(WO3)6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are eight inequivalent W+5.33+ sites. In the first W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is one shorter (1.94 Å) and five longer (1.95 Å) W–O bond length. In the second W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.86–2.11 Å. In the third W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bond distances ranging from 1.87–2.10 Å. In the fourth W+5.33+ site, W+5.33+ 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 1.91–1.98 Å. In the fifth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of W–O bond distances ranging from 1.86–2.11 Å. In the sixth W+5.33+ site, W+5.33+ 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 1.90–2.00 Å. In the seventh W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There is four shorter (1.94 Å) and two longer (1.95 Å) W–O bond length. In the eighth W+5.33+ site, W+5.33+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are a spread of W–O bond distances ranging from 1.92–2.10 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. In the second Ge4+ site, Ge4+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Ge–O bond lengths are 1.89 Å. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.33+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+5.33+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+5.33+ and one Ge4+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees 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. In the fourteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the sixteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the seventeenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms. In the eighteenth O2- site, O2- is bonded in a linear geometry to two W+5.33+ atoms.},
doi = {10.17188/1284710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1284710
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