Materials Data on U7Cd3O20 by Materials Project
Abstract
U7Cd3O20 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent U+4.86+ sites. In the first U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.30 Å. In the second U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.26–2.32 Å. In the third U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.29 Å) and two longer (2.30 Å) U–O bond lengths. In the fourth U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.39–2.42 Å. In the second Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Cd–Omore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1284269
- Report Number(s):
- mp-686037
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; U7Cd3O20; Cd-O-U
Citation Formats
The Materials Project. Materials Data on U7Cd3O20 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284269.
The Materials Project. Materials Data on U7Cd3O20 by Materials Project. United States. https://doi.org/10.17188/1284269
The Materials Project. 2020.
"Materials Data on U7Cd3O20 by Materials Project". United States. https://doi.org/10.17188/1284269. https://www.osti.gov/servlets/purl/1284269.
@article{osti_1284269,
title = {Materials Data on U7Cd3O20 by Materials Project},
author = {The Materials Project},
abstractNote = {U7Cd3O20 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent U+4.86+ sites. In the first U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.30 Å. In the second U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.26–2.32 Å. In the third U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.29 Å) and two longer (2.30 Å) U–O bond lengths. In the fourth U+4.86+ site, U+4.86+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.32 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.39–2.42 Å. In the second Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.40–2.45 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two U+4.86+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OU2Cd2 tetrahedra. In the second O2- site, O2- is bonded to three U+4.86+ and one Cd2+ atom to form a mixture of edge and corner-sharing OU3Cd tetrahedra. In the third O2- site, O2- is bonded to three U+4.86+ and one Cd2+ atom to form a mixture of edge and corner-sharing OU3Cd tetrahedra. In the fourth O2- site, O2- is bonded to three U+4.86+ and one Cd2+ atom to form a mixture of edge and corner-sharing OU3Cd tetrahedra. In the fifth O2- site, O2- is bonded to three U+4.86+ and one Cd2+ atom to form OU3Cd tetrahedra that share corners with sixteen OU2Cd2 tetrahedra and edges with six OU3Cd tetrahedra. In the sixth O2- site, O2- is bonded to three U+4.86+ and one Cd2+ atom to form a mixture of edge and corner-sharing OU3Cd tetrahedra.},
doi = {10.17188/1284269},
url = {https://www.osti.gov/biblio/1284269},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}