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Title: Materials Data on Co6BP by Materials Project

Abstract

Co6BP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are six inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a water-like geometry to one B3- and one P3- atom. The Co–B bond length is 2.11 Å. The Co–P bond length is 2.32 Å. In the second Co1+ site, Co1+ is bonded in a bent 120 degrees geometry to one B3- and one P3- atom. The Co–B bond length is 2.09 Å. The Co–P bond length is 2.27 Å. In the third Co1+ site, Co1+ is bonded in a distorted see-saw-like geometry to two equivalent B3- and two equivalent P3- atoms. There are one shorter (2.15 Å) and one longer (2.23 Å) Co–B bond lengths. There are one shorter (2.27 Å) and one longer (2.32 Å) Co–P bond lengths. In the fourth Co1+ site, Co1+ is bonded to two equivalent B3- and two equivalent P3- atoms to form a mixture of corner and edge-sharing CoB2P2 tetrahedra. There are one shorter (2.13 Å) and one longer (2.14 Å) Co–B bond lengths. There are one shorter (2.20 Å) and one longer (2.29 Å) Co–P bond lengths. In the fifth Co1+ site, Co1+ is bonded inmore » a distorted water-like geometry to one B3- and one P3- atom. The Co–B bond length is 2.07 Å. The Co–P bond length is 2.21 Å. In the sixth Co1+ site, Co1+ is bonded in a distorted trigonal non-coplanar geometry to one B3- and two equivalent P3- atoms. The Co–B bond length is 2.18 Å. There are one shorter (2.21 Å) and one longer (2.27 Å) Co–P bond lengths. B3- is bonded in a 9-coordinate geometry to eight Co1+ atoms. P3- is bonded in a 9-coordinate geometry to nine Co1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226141
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; Co6BP; B-Co-P
OSTI Identifier:
1715163
DOI:
https://doi.org/10.17188/1715163

Citation Formats

The Materials Project. Materials Data on Co6BP by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1715163.
The Materials Project. Materials Data on Co6BP by Materials Project. United States. doi:https://doi.org/10.17188/1715163
The Materials Project. 2019. "Materials Data on Co6BP by Materials Project". United States. doi:https://doi.org/10.17188/1715163. https://www.osti.gov/servlets/purl/1715163. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1715163,
title = {Materials Data on Co6BP by Materials Project},
author = {The Materials Project},
abstractNote = {Co6BP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are six inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a water-like geometry to one B3- and one P3- atom. The Co–B bond length is 2.11 Å. The Co–P bond length is 2.32 Å. In the second Co1+ site, Co1+ is bonded in a bent 120 degrees geometry to one B3- and one P3- atom. The Co–B bond length is 2.09 Å. The Co–P bond length is 2.27 Å. In the third Co1+ site, Co1+ is bonded in a distorted see-saw-like geometry to two equivalent B3- and two equivalent P3- atoms. There are one shorter (2.15 Å) and one longer (2.23 Å) Co–B bond lengths. There are one shorter (2.27 Å) and one longer (2.32 Å) Co–P bond lengths. In the fourth Co1+ site, Co1+ is bonded to two equivalent B3- and two equivalent P3- atoms to form a mixture of corner and edge-sharing CoB2P2 tetrahedra. There are one shorter (2.13 Å) and one longer (2.14 Å) Co–B bond lengths. There are one shorter (2.20 Å) and one longer (2.29 Å) Co–P bond lengths. In the fifth Co1+ site, Co1+ is bonded in a distorted water-like geometry to one B3- and one P3- atom. The Co–B bond length is 2.07 Å. The Co–P bond length is 2.21 Å. In the sixth Co1+ site, Co1+ is bonded in a distorted trigonal non-coplanar geometry to one B3- and two equivalent P3- atoms. The Co–B bond length is 2.18 Å. There are one shorter (2.21 Å) and one longer (2.27 Å) Co–P bond lengths. B3- is bonded in a 9-coordinate geometry to eight Co1+ atoms. P3- is bonded in a 9-coordinate geometry to nine Co1+ atoms.},
doi = {10.17188/1715163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}