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Title: Materials Data on Mg2B24C by Materials Project

Abstract

Mg2B24C crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 10-coordinate geometry to eight B and two equivalent C4- atoms. There are four shorter (2.27 Å) and four longer (2.31 Å) Mg–B bond lengths. Both Mg–C bond lengths are 2.54 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight B atoms. There are four shorter (2.13 Å) and four longer (2.47 Å) Mg–B bond lengths. There are six inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to one Mg2+ and six B atoms. There are a spread of B–B bond distances ranging from 1.74–2.09 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Mg2+ and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.91 Å. In the third B site, B is bonded in a distorted single-bond geometry to five B and one C4- atom. There are a spread of B–B bond distances ranging from 1.80–1.87 Å. The B–C bond length is 1.67 Å. In the fourth Bmore » 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 7-coordinate geometry to one Mg2+ and six B atoms. In the sixth B site, B is bonded in a 7-coordinate geometry to one Mg2+ and six B atoms. The B–B bond length is 1.96 Å. C4- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and four equivalent B atoms.« less

Publication Date:
Other Number(s):
mp-568556
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; Mg2B24C; B-C-Mg
OSTI Identifier:
1274498
DOI:
10.17188/1274498

Citation Formats

The Materials Project. Materials Data on Mg2B24C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274498.
The Materials Project. Materials Data on Mg2B24C by Materials Project. United States. doi:10.17188/1274498.
The Materials Project. 2020. "Materials Data on Mg2B24C by Materials Project". United States. doi:10.17188/1274498. https://www.osti.gov/servlets/purl/1274498. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274498,
title = {Materials Data on Mg2B24C by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2B24C crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 10-coordinate geometry to eight B and two equivalent C4- atoms. There are four shorter (2.27 Å) and four longer (2.31 Å) Mg–B bond lengths. Both Mg–C bond lengths are 2.54 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight B atoms. There are four shorter (2.13 Å) and four longer (2.47 Å) Mg–B bond lengths. There are six inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to one Mg2+ and six B atoms. There are a spread of B–B bond distances ranging from 1.74–2.09 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Mg2+ and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.91 Å. In the third B site, B is bonded in a distorted single-bond geometry to five B and one C4- atom. There are a spread of B–B bond distances ranging from 1.80–1.87 Å. The B–C bond length is 1.67 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 7-coordinate geometry to one Mg2+ and six B atoms. In the sixth B site, B is bonded in a 7-coordinate geometry to one Mg2+ and six B atoms. The B–B bond length is 1.96 Å. C4- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and four equivalent B atoms.},
doi = {10.17188/1274498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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