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Title: Materials Data on B8O by Materials Project

Abstract

B8O crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are sixteen inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.70–1.80 Å. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.78–2.33 Å. In the third B site, B is bonded in a single-bond geometry to four B and one O atom. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. The B–O bond length is 1.48 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.80 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.69 Å) and one longer (1.80 Å) B–B bond length. In the sixth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.80 Å. In themore » seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.69 Å) and one longer (1.80 Å) B–B bond length. In the eighth B site, B is bonded in a single-bond geometry to four B and one O atom. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. The B–O bond length is 1.47 Å. In the ninth B site, B is bonded in a 7-coordinate geometry to seven B atoms. All B–B bond lengths are 1.85 Å. In the tenth B site, B is bonded in a single-bond geometry to three B and one O atom. The B–B bond length is 1.81 Å. The B–O bond length is 1.49 Å. In the eleventh B site, B is bonded in a single-bond geometry to three B and one O atom. There is one shorter (1.76 Å) and one longer (1.79 Å) B–B bond length. The B–O bond length is 1.49 Å. In the twelfth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.77 Å. In the thirteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. In the fourteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. In the fifteenth B site, B is bonded in a single-bond geometry to five B and one O atom. The B–O bond length is 1.46 Å. In the sixteenth B site, B is bonded in a single-bond geometry to three B and one O atom. The B–O bond length is 1.49 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three B atoms. In the second O site, O is bonded in a trigonal planar geometry to three B atoms. In the third O site, O is bonded in a trigonal planar geometry to three B atoms.« less

Publication Date:
Other Number(s):
mp-530033
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; B8O; B-O
OSTI Identifier:
1263191
DOI:
https://doi.org/10.17188/1263191

Citation Formats

The Materials Project. Materials Data on B8O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263191.
The Materials Project. Materials Data on B8O by Materials Project. United States. doi:https://doi.org/10.17188/1263191
The Materials Project. 2020. "Materials Data on B8O by Materials Project". United States. doi:https://doi.org/10.17188/1263191. https://www.osti.gov/servlets/purl/1263191. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263191,
title = {Materials Data on B8O by Materials Project},
author = {The Materials Project},
abstractNote = {B8O crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are sixteen inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.70–1.80 Å. In the second B site, B is bonded in a 7-coordinate geometry to seven B atoms. There are a spread of B–B bond distances ranging from 1.78–2.33 Å. In the third B site, B is bonded in a single-bond geometry to four B and one O atom. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. The B–O bond length is 1.48 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.80 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.69 Å) and one longer (1.80 Å) B–B bond length. In the sixth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.80 Å. In the seventh B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.69 Å) and one longer (1.80 Å) B–B bond length. In the eighth B site, B is bonded in a single-bond geometry to four B and one O atom. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. The B–O bond length is 1.47 Å. In the ninth B site, B is bonded in a 7-coordinate geometry to seven B atoms. All B–B bond lengths are 1.85 Å. In the tenth B site, B is bonded in a single-bond geometry to three B and one O atom. The B–B bond length is 1.81 Å. The B–O bond length is 1.49 Å. In the eleventh B site, B is bonded in a single-bond geometry to three B and one O atom. There is one shorter (1.76 Å) and one longer (1.79 Å) B–B bond length. The B–O bond length is 1.49 Å. In the twelfth B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.69–1.77 Å. In the thirteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. In the fourteenth B site, B is bonded in a 6-coordinate geometry to six B atoms. In the fifteenth B site, B is bonded in a single-bond geometry to five B and one O atom. The B–O bond length is 1.46 Å. In the sixteenth B site, B is bonded in a single-bond geometry to three B and one O atom. The B–O bond length is 1.49 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three B atoms. In the second O site, O is bonded in a trigonal planar geometry to three B atoms. In the third O site, O is bonded in a trigonal planar geometry to three B atoms.},
doi = {10.17188/1263191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}