skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cr(B3H8)2 by Materials Project

Abstract

Cr(B3H8)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cr(B3H8)2 ribbon oriented in the (1, 0, 0) direction. Cr2+ is bonded in a distorted square co-planar geometry to four H1+ atoms. There is two shorter (1.66 Å) and two longer (1.85 Å) Cr–H bond length. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and three H1+ atoms. The B–B bond length is 1.48 Å. There are a spread of B–H bond distances ranging from 1.06–1.57 Å. In the second B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and four H1+ atoms. There are a spread of B–H bond distances ranging from 1.10–1.68 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to three H1+ atoms. There are a spread of B–H bond distances ranging from 1.09–1.69 Å. There are eight 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+ ismore » bonded in a bent 150 degrees geometry to one Cr2+ and 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 distorted water-like geometry to two B3- atoms. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two B3- atoms. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the eighth H1+ site, H1+ is bonded in a water-like geometry to one Cr2+ and one B3- atom.« less

Publication Date:
Other Number(s):
mp-567148
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; Cr(B3H8)2; B-Cr-H
OSTI Identifier:
1273722
DOI:
10.17188/1273722

Citation Formats

The Materials Project. Materials Data on Cr(B3H8)2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1273722.
The Materials Project. Materials Data on Cr(B3H8)2 by Materials Project. United States. doi:10.17188/1273722.
The Materials Project. 2014. "Materials Data on Cr(B3H8)2 by Materials Project". United States. doi:10.17188/1273722. https://www.osti.gov/servlets/purl/1273722. Pub date:Sun Feb 23 00:00:00 EST 2014
@article{osti_1273722,
title = {Materials Data on Cr(B3H8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr(B3H8)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cr(B3H8)2 ribbon oriented in the (1, 0, 0) direction. Cr2+ is bonded in a distorted square co-planar geometry to four H1+ atoms. There is two shorter (1.66 Å) and two longer (1.85 Å) Cr–H bond length. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and three H1+ atoms. The B–B bond length is 1.48 Å. There are a spread of B–H bond distances ranging from 1.06–1.57 Å. In the second B3- site, B3- is bonded in a 2-coordinate geometry to one B3- and four H1+ atoms. There are a spread of B–H bond distances ranging from 1.10–1.68 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to three H1+ atoms. There are a spread of B–H bond distances ranging from 1.09–1.69 Å. There are eight 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 bent 150 degrees geometry to one Cr2+ and 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 distorted water-like geometry to two B3- atoms. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two B3- atoms. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the eighth H1+ site, H1+ is bonded in a water-like geometry to one Cr2+ and one B3- atom.},
doi = {10.17188/1273722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

Dataset:

Save / Share: