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Title: Materials Data on Bi11PO20 by Materials Project

Abstract

Bi11PO20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Bi+3.18+ sites. In the first Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.89 Å. In the second Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.73 Å. In the third Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.90 Å. In the fourth Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.72 Å. In the fifth Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.89 Å. In the sixth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.71 Å. In the seventh Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to fourmore » O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.35 Å. In the eighth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.85 Å. In the ninth Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.94 Å. In the tenth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.83 Å. In the eleventh Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.92 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.55 Å) and three longer (1.57 Å) P–O bond length. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.18+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Bi+3.18+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Bi+3.18+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to four Bi+3.18+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.18+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi+3.18+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Bi+3.18+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi+3.18+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi+3.18+ and one P5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.18+ and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Bi+3.18+ atoms. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four Bi+3.18+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-758223
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; Bi11PO20; Bi-O-P
OSTI Identifier:
1291021
DOI:
https://doi.org/10.17188/1291021

Citation Formats

The Materials Project. Materials Data on Bi11PO20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291021.
The Materials Project. Materials Data on Bi11PO20 by Materials Project. United States. doi:https://doi.org/10.17188/1291021
The Materials Project. 2020. "Materials Data on Bi11PO20 by Materials Project". United States. doi:https://doi.org/10.17188/1291021. https://www.osti.gov/servlets/purl/1291021. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1291021,
title = {Materials Data on Bi11PO20 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi11PO20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eleven inequivalent Bi+3.18+ sites. In the first Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.89 Å. In the second Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.73 Å. In the third Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.90 Å. In the fourth Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.16–2.72 Å. In the fifth Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.89 Å. In the sixth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.71 Å. In the seventh Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.35 Å. In the eighth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.85 Å. In the ninth Bi+3.18+ site, Bi+3.18+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.94 Å. In the tenth Bi+3.18+ site, Bi+3.18+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.83 Å. In the eleventh Bi+3.18+ site, Bi+3.18+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.92 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.55 Å) and three longer (1.57 Å) P–O bond length. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.18+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Bi+3.18+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Bi+3.18+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to four Bi+3.18+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi+3.18+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Bi+3.18+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Bi+3.18+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi+3.18+ atoms. In the fourteenth O2- site, O2- is bonded in a trigonal planar geometry to three Bi+3.18+ atoms. In the fifteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi+3.18+ and one P5+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi+3.18+ and one P5+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi+3.18+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Bi+3.18+ atoms. In the twentieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four Bi+3.18+ atoms.},
doi = {10.17188/1291021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}