Materials Data on Na(CO)2 by Materials Project
Abstract
Na(CO)2 is Ullmanite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to six O atoms to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 61–70°. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Na and one C atom. In the second O site, O is bonded to three equivalent Na and one C atom to form a mixture of distorted edge and corner-sharing ONa3C trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-557976
- 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; Na(CO)2; C-Na-O
- OSTI Identifier:
- 1270106
- DOI:
- https://doi.org/10.17188/1270106
Citation Formats
The Materials Project. Materials Data on Na(CO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270106.
The Materials Project. Materials Data on Na(CO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270106
The Materials Project. 2020.
"Materials Data on Na(CO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270106. https://www.osti.gov/servlets/purl/1270106. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270106,
title = {Materials Data on Na(CO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na(CO)2 is Ullmanite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to six O atoms to form a mixture of distorted edge and corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 61–70°. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Na and one C atom. In the second O site, O is bonded to three equivalent Na and one C atom to form a mixture of distorted edge and corner-sharing ONa3C trigonal pyramids.},
doi = {10.17188/1270106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}