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Title: Materials Data on Ca(NO4)2 by Materials Project

Abstract

Ca(NO3)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Ca(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Ca(NO3)2 sheet, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.61 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Ca and one N atom. In the second O site, O is bonded in an L-shaped geometry to one Ca and one N atom. In the third O site, O is bonded in a water-like geometry to one Ca and one N atom.

Authors:
Publication Date:
Other Number(s):
mp-1182253
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(NO4)2; Ca-N-O
OSTI Identifier:
1746592
DOI:
https://doi.org/10.17188/1746592

Citation Formats

The Materials Project. Materials Data on Ca(NO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746592.
The Materials Project. Materials Data on Ca(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746592
The Materials Project. 2020. "Materials Data on Ca(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746592. https://www.osti.gov/servlets/purl/1746592. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746592,
title = {Materials Data on Ca(NO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(NO3)2O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two Ca(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Ca(NO3)2 sheet, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.61 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Ca and one N atom. In the second O site, O is bonded in an L-shaped geometry to one Ca and one N atom. In the third O site, O is bonded in a water-like geometry to one Ca and one N atom.},
doi = {10.17188/1746592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}