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Title: Materials Data on B(HC)2 by Materials Project

Abstract

B(CH)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one B(CH)2 cluster. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. There are six inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the second C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bondmore » length is 1.26 Å. In the third C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the fourth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the fifth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the sixth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom.« less

Publication Date:
Other Number(s):
mp-1214830
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; B(HC)2; B-C-H
OSTI Identifier:
1745609
DOI:
https://doi.org/10.17188/1745609

Citation Formats

The Materials Project. Materials Data on B(HC)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745609.
The Materials Project. Materials Data on B(HC)2 by Materials Project. United States. doi:https://doi.org/10.17188/1745609
The Materials Project. 2020. "Materials Data on B(HC)2 by Materials Project". United States. doi:https://doi.org/10.17188/1745609. https://www.osti.gov/servlets/purl/1745609. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745609,
title = {Materials Data on B(HC)2 by Materials Project},
author = {The Materials Project},
abstractNote = {B(CH)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one B(CH)2 cluster. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to two C+2.50- and two H1+ atoms. Both B–C bond lengths are 1.52 Å. There is one shorter (1.24 Å) and one longer (1.26 Å) B–H bond length. There are six inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the second C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.26 Å. In the third C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. The C–C bond length is 1.25 Å. In the fourth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the fifth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. In the sixth C+2.50- site, C+2.50- is bonded in a distorted linear geometry to one B3+ and one C+2.50- atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom.},
doi = {10.17188/1745609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}