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Title: Materials Data on BPS4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201917· OSTI ID:1201917

BPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two BPS4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded to four equivalent S2- atoms to form BS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All B–S bond lengths are 1.94 Å. P5+ is bonded to four equivalent S2- atoms to form distorted PS4 tetrahedra that share edges with two equivalent BS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in an L-shaped geometry to one B3+ and one P5+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1201917
Report Number(s):
mp-27724
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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