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Title: Materials Data on K2W2O5 by Materials Project

Abstract

K2W2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.04–2.99 Å. In the second K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.04–2.99 Å. In the third K1+ site, K1+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 1.90–3.10 Å. In the fourth K1+ site, K1+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 1.90–3.10 Å. There are four inequivalent W4+ sites. In the first W4+ site, W4+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.08 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded in a square co-planar geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 2.01–2.78 Å.more » In the third W4+ site, W4+ is bonded in a distorted L-shaped geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 2.03–2.79 Å. In the fourth W4+ site, W4+ is bonded in a distorted L-shaped geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 2.03–2.79 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) O–O bond lengths. In the fifth O2- site, O2- is bonded in a 8-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.93 Å. In the sixth O2- site, O2- is bonded in a 8-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.93 Å. In the seventh O2- site, O2- is bonded in a 7-coordinate geometry to four K1+, two W4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a 7-coordinate geometry to four K1+, two W4+, and one O2- atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. In the tenth O2- site, O2- is bonded in a square co-planar geometry to two K1+ and two W4+ atoms.« less

Publication Date:
Other Number(s):
mp-1097805
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; K2W2O5; K-O-W
OSTI Identifier:
1743899
DOI:
https://doi.org/10.17188/1743899

Citation Formats

The Materials Project. Materials Data on K2W2O5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1743899.
The Materials Project. Materials Data on K2W2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1743899
The Materials Project. 2018. "Materials Data on K2W2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1743899. https://www.osti.gov/servlets/purl/1743899. Pub date:Sun May 20 00:00:00 EDT 2018
@article{osti_1743899,
title = {Materials Data on K2W2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2W2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.04–2.99 Å. In the second K1+ site, K1+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.04–2.99 Å. In the third K1+ site, K1+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 1.90–3.10 Å. In the fourth K1+ site, K1+ is bonded in a distorted single-bond geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 1.90–3.10 Å. There are four inequivalent W4+ sites. In the first W4+ site, W4+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.08 Å) W–O bond lengths. In the second W4+ site, W4+ is bonded in a square co-planar geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 2.01–2.78 Å. In the third W4+ site, W4+ is bonded in a distorted L-shaped geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 2.03–2.79 Å. In the fourth W4+ site, W4+ is bonded in a distorted L-shaped geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 2.03–2.79 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to two K1+ and two W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) O–O bond lengths. In the fifth O2- site, O2- is bonded in a 8-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.93 Å. In the sixth O2- site, O2- is bonded in a 8-coordinate geometry to four K1+, two W4+, and two O2- atoms. The O–O bond length is 1.93 Å. In the seventh O2- site, O2- is bonded in a 7-coordinate geometry to four K1+, two W4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a 7-coordinate geometry to four K1+, two W4+, and one O2- atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to two W4+ and two O2- atoms. In the tenth O2- site, O2- is bonded in a square co-planar geometry to two K1+ and two W4+ atoms.},
doi = {10.17188/1743899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}