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Title: Materials Data on CdH8(NO5)2 by Materials Project

Abstract

CdH8(NO5)2 is gamma plutonium structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two cadmium;nitric acid;tetrahydrate molecules. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.32–2.66 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometrymore » to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a water-like geometry to one Cd2+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a water-like geometry to one Cd2+ and two H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-703542
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; CdH8(NO5)2; Cd-H-N-O
OSTI Identifier:
1285644
DOI:
https://doi.org/10.17188/1285644

Citation Formats

The Materials Project. Materials Data on CdH8(NO5)2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1285644.
The Materials Project. Materials Data on CdH8(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285644
The Materials Project. 2014. "Materials Data on CdH8(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285644. https://www.osti.gov/servlets/purl/1285644. Pub date:Sun Sep 28 00:00:00 EDT 2014
@article{osti_1285644,
title = {Materials Data on CdH8(NO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdH8(NO5)2 is gamma plutonium structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two cadmium;nitric acid;tetrahydrate molecules. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.32–2.66 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a water-like geometry to one Cd2+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a water-like geometry to one Cd2+ and two H1+ atoms.},
doi = {10.17188/1285644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}