U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca(NO5)2 by Materials Project
Abstract
Ca(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Ca(NO5)2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.88 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ca and one N atom. In the second O site, O is bonded in a water-like geometry to one Ca and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1182399
- 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; Ca(NO5)2; Ca-N-O
- OSTI Identifier:
- 1717354
- DOI:
- https://doi.org/10.17188/1717354
Citation Formats
The Materials Project. Materials Data on Ca(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717354.
The Materials Project. Materials Data on Ca(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717354
The Materials Project. 2020.
"Materials Data on Ca(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717354. https://www.osti.gov/servlets/purl/1717354. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1717354,
title = {Materials Data on Ca(NO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Ca(NO5)2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.88 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ca and one N atom. In the second O site, O is bonded in a water-like geometry to one Ca and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded in a water-like geometry to one Ca and one N atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ca and one O atom. The O–O bond length is 1.28 Å. In the sixth O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one N atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted L-shaped geometry to one Ca and one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1717354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}