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Title: Materials Data on KGePCO7 by Materials Project

Abstract

KGeCPO7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one KGeCPO7 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.56 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.89–1.94 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.35 Å) C–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Ge4+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry tomore » one Ge4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-754175
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; KGePCO7; C-Ge-K-O-P
OSTI Identifier:
1289281
DOI:
https://doi.org/10.17188/1289281

Citation Formats

The Materials Project. Materials Data on KGePCO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289281.
The Materials Project. Materials Data on KGePCO7 by Materials Project. United States. doi:https://doi.org/10.17188/1289281
The Materials Project. 2020. "Materials Data on KGePCO7 by Materials Project". United States. doi:https://doi.org/10.17188/1289281. https://www.osti.gov/servlets/purl/1289281. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289281,
title = {Materials Data on KGePCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {KGeCPO7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one KGeCPO7 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.56 Å. Ge4+ is bonded to six O2- atoms to form GeO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.89–1.94 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.23 Å) and two longer (1.35 Å) C–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Ge4+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ge4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P5+ atom.},
doi = {10.17188/1289281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}