Materials Data on U7Cd3O20 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1284269
- Report Number(s):
- mp-686037
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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