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Title: Materials Data on RbBiC4(SN)4 by Materials Project

Abstract

RbC4Bi(NS)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to four N3- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Rb–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. Bi3+ is bonded in a 8-coordinate geometry to four N3- and four S2- atoms. There are two shorter (2.71 Å) and two longer (2.93 Å) Bi–N bond lengths. There are two shorter (2.82 Å) and two longer (2.92 Å) Bi–S bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one Rb1+, one C4+, and one Bi3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Rb1+, one C4+, andmore » one Bi3+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one C4+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one C4+ and one Bi3+ atom.« less

Publication Date:
Other Number(s):
mp-647987
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; RbBiC4(SN)4; Bi-C-N-Rb-S
OSTI Identifier:
1280789
DOI:
10.17188/1280789

Citation Formats

The Materials Project. Materials Data on RbBiC4(SN)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280789.
The Materials Project. Materials Data on RbBiC4(SN)4 by Materials Project. United States. doi:10.17188/1280789.
The Materials Project. 2020. "Materials Data on RbBiC4(SN)4 by Materials Project". United States. doi:10.17188/1280789. https://www.osti.gov/servlets/purl/1280789. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280789,
title = {Materials Data on RbBiC4(SN)4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbC4Bi(NS)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to four N3- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Rb–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. Bi3+ is bonded in a 8-coordinate geometry to four N3- and four S2- atoms. There are two shorter (2.71 Å) and two longer (2.93 Å) Bi–N bond lengths. There are two shorter (2.82 Å) and two longer (2.92 Å) Bi–S bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one Rb1+, one C4+, and one Bi3+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Rb1+, one C4+, and one Bi3+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one C4+ and one Bi3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one C4+ and one Bi3+ atom.},
doi = {10.17188/1280789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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