U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdRe2(H2O5)2 by Materials Project
Abstract
Re2Cd(H2O5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–2.42 Å. In the second Re7+ site, Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–2.49 Å. In the third Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.77 Å. In the fourth Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.07–2.92 Å. In the second Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.69 Å. There are eight inequivalent H1+ sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-707538
- 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; CdRe2(H2O5)2; Cd-H-O-Re
- OSTI Identifier:
- 1268419
- DOI:
- https://doi.org/10.17188/1268419
Citation Formats
The Materials Project. Materials Data on CdRe2(H2O5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268419.
The Materials Project. Materials Data on CdRe2(H2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268419
The Materials Project. 2020.
"Materials Data on CdRe2(H2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268419. https://www.osti.gov/servlets/purl/1268419. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268419,
title = {Materials Data on CdRe2(H2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2Cd(H2O5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–2.42 Å. In the second Re7+ site, Re7+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–2.49 Å. In the third Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.77 Å. In the fourth Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.07–2.92 Å. In the second Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.69 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 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 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 1.01 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Re7+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two Re7+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cd2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ and one Cd2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Re7+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Cd2+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Cd2+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re7+ and one Cd2+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Cd2+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the seventeenth O2- site, O2- is bonded in a distorted water-like geometry to two Cd2+ and two H1+ atoms. In the eighteenth O2- site, O2- is bonded in a water-like geometry to two Cd2+ and two H1+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+, one Cd2+, and one H1+ atom. In the twentieth O2- site, O2- is bonded in a water-like geometry to one Re7+, one Cd2+, and two H1+ atoms.},
doi = {10.17188/1268419},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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