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Title: Materials Data on K6Ge2O7 by Materials Project

Abstract

K6Ge2O7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.09 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.06 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.97 Å. In the fourth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three GeO4 tetrahedra and an edgeedge with one GeO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.64–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.01 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging frommore » 2.73–3.00 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and an edgeedge with one KO5 trigonal bipyramid. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent KO5 trigonal bipyramids. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5116
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; K6Ge2O7; Ge-K-O
OSTI Identifier:
1263086
DOI:
10.17188/1263086

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K6Ge2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263086.
Persson, Kristin, & Project, Materials. Materials Data on K6Ge2O7 by Materials Project. United States. doi:10.17188/1263086.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K6Ge2O7 by Materials Project". United States. doi:10.17188/1263086. https://www.osti.gov/servlets/purl/1263086. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1263086,
title = {Materials Data on K6Ge2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K6Ge2O7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.09 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.06 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.97 Å. In the fourth K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three GeO4 tetrahedra and an edgeedge with one GeO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.64–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.01 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.00 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, and an edgeedge with one KO5 trigonal bipyramid. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent KO5 trigonal bipyramids. There is three shorter (1.77 Å) and one longer (1.85 Å) Ge–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to four K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ge4+ atom.},
doi = {10.17188/1263086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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