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Title: Materials Data on K3BiPCO7 by Materials Project

Abstract

K3CBiPO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two 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 2.69–3.20 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.36 Å. C3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.33 Å. Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.47 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one C3+, and one Bi3+ atom. In the third O2- site, O2- is bondedmore » in a distorted single-bond geometry to three K1+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Bi3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to two equivalent K1+, one Bi3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-767416
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; K3BiPCO7; Bi-C-K-O-P
OSTI Identifier:
1297588
DOI:
10.17188/1297588

Citation Formats

The Materials Project. Materials Data on K3BiPCO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297588.
The Materials Project. Materials Data on K3BiPCO7 by Materials Project. United States. doi:10.17188/1297588.
The Materials Project. 2020. "Materials Data on K3BiPCO7 by Materials Project". United States. doi:10.17188/1297588. https://www.osti.gov/servlets/purl/1297588. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1297588,
title = {Materials Data on K3BiPCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {K3CBiPO7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two 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 2.69–3.20 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.36 Å. C3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.33 Å. Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.47 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+, one C3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Bi3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted tetrahedral geometry to two equivalent K1+, one Bi3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one P5+ atom.},
doi = {10.17188/1297588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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