U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3(CoN2)2 by Materials Project
Abstract
Ca3(CoN2)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.41–2.49 Å. In the second Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.39–2.45 Å. In the third Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.38–2.54 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Co–N bond length. In the second Co3+ site, Co3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Co–N bond length. There are four inequivalent N3- sites. In themore »
- Publication Date:
- Other Number(s):
- mvc-10858
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ca-Co-N; Ca3(CoN2)2; crystal structure
- OSTI Identifier:
- 1318026
- DOI:
- https://doi.org/10.17188/1318026
Citation Formats
Materials Data on Ca3(CoN2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318026.
Materials Data on Ca3(CoN2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318026
2020.
"Materials Data on Ca3(CoN2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318026. https://www.osti.gov/servlets/purl/1318026. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1318026,
title = {Materials Data on Ca3(CoN2)2 by Materials Project},
abstractNote = {Ca3(CoN2)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.41–2.49 Å. In the second Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.39–2.45 Å. In the third Ca2+ site, Ca2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are a spread of Ca–N bond distances ranging from 2.38–2.54 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Co–N bond length. In the second Co3+ site, Co3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Co–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Ca2+ and one Co3+ atom. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Ca2+ and one Co3+ atom. In the third N3- site, N3- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Co3+ atom. In the fourth N3- site, N3- is bonded in a rectangular see-saw-like geometry to three Ca2+ and one Co3+ atom.},
doi = {10.17188/1318026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}