Materials Data on Cs2LiCr(CN)6 by Materials Project
Abstract
Cs2LiCr(CN)6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional and consists of two chromium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to four N3- atoms. All Cs–N bond lengths are 3.60 Å. Li1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (2.22 Å) and four longer (2.27 Å) Li–N bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to two equivalent Cs1+, one Li1+, and one C2+ atom. The N–C bond length is 1.18 Å. In the second N3- site, N3- is bonded in a linear geometry to one Li1+ and one C2+ atom. In the third N3- site, N3- is bonded in a distorted linear geometry to two equivalent Cs1+, one Li1+, and one C2+ atom. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-570502
- 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; Cs2LiCr(CN)6; C-Cr-Cs-Li-N
- OSTI Identifier:
- 1275745
- DOI:
- https://doi.org/10.17188/1275745
Citation Formats
The Materials Project. Materials Data on Cs2LiCr(CN)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275745.
The Materials Project. Materials Data on Cs2LiCr(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1275745
The Materials Project. 2020.
"Materials Data on Cs2LiCr(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1275745. https://www.osti.gov/servlets/purl/1275745. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275745,
title = {Materials Data on Cs2LiCr(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2LiCr(CN)6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional and consists of two chromium molecules and one Cs2Li(CN)6 framework. In the Cs2Li(CN)6 framework, Cs1+ is bonded in a 4-coordinate geometry to four N3- atoms. All Cs–N bond lengths are 3.60 Å. Li1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (2.22 Å) and four longer (2.27 Å) Li–N bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to two equivalent Cs1+, one Li1+, and one C2+ atom. The N–C bond length is 1.18 Å. In the second N3- site, N3- is bonded in a linear geometry to one Li1+ and one C2+ atom. In the third N3- site, N3- is bonded in a distorted linear geometry to two equivalent Cs1+, one Li1+, and one C2+ atom. In the fourth N3- site, N3- is bonded in a distorted linear geometry to two equivalent Cs1+, one Li1+, and one C2+ atom. The N–C bond length is 1.18 Å.},
doi = {10.17188/1275745},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}