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Title: Materials Data on V4Ge13O36 by Materials Project

Abstract

V4Ge13O36 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one V4Ge13O36 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent GeO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of V–O bond distances ranging from 1.78–2.06 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.40 Å. There are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are a spread of Ge–O bond distances ranging from 1.90–1.96 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.96 Å) Ge–O bondmore » length. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.96 Å) Ge–O bond length. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent GeO6 octahedra, and edges with two equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Ge–O bond distances ranging from 1.90–1.95 Å. In the fifth Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.97 Å) Ge–O bond length. In the sixth Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.98 Å) Ge–O bond length. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. Both O–Ge bond lengths are 1.90 Å. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to three V5+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Ge4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. The O–Ge bond length is 1.97 Å. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-1100933
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V4Ge13O36; Ge-O-V
OSTI Identifier:
1749004
DOI:
https://doi.org/10.17188/1749004

Citation Formats

The Materials Project. Materials Data on V4Ge13O36 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1749004.
The Materials Project. Materials Data on V4Ge13O36 by Materials Project. United States. doi:https://doi.org/10.17188/1749004
The Materials Project. 2018. "Materials Data on V4Ge13O36 by Materials Project". United States. doi:https://doi.org/10.17188/1749004. https://www.osti.gov/servlets/purl/1749004. Pub date:Sat Jul 14 00:00:00 EDT 2018
@article{osti_1749004,
title = {Materials Data on V4Ge13O36 by Materials Project},
author = {The Materials Project},
abstractNote = {V4Ge13O36 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one V4Ge13O36 sheet oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent GeO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of V–O bond distances ranging from 1.78–2.06 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.40 Å. There are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are a spread of Ge–O bond distances ranging from 1.90–1.96 Å. In the second Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.96 Å) Ge–O bond length. In the third Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.96 Å) Ge–O bond length. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent GeO6 octahedra, and edges with two equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of Ge–O bond distances ranging from 1.90–1.95 Å. In the fifth Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.97 Å) Ge–O bond length. In the sixth Ge4+ site, Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.90 Å) and two longer (1.98 Å) Ge–O bond length. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. Both O–Ge bond lengths are 1.90 Å. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to three V5+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Ge4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. The O–Ge bond length is 1.97 Å. In the sixteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms.},
doi = {10.17188/1749004},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}