Materials Data on UPClO6 by Materials Project
Abstract
UPO6Cl crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. U is bonded to six O and one Cl atom to form distorted UClO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.92–2.25 Å. The U–Cl bond length is 3.11 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UClO6 octahedra. The corner-sharing octahedra tilt angles range from 14–36°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one U and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217036
- 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; UPClO6; Cl-O-P-U
- OSTI Identifier:
- 1681299
- DOI:
- https://doi.org/10.17188/1681299
Citation Formats
The Materials Project. Materials Data on UPClO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681299.
The Materials Project. Materials Data on UPClO6 by Materials Project. United States. doi:https://doi.org/10.17188/1681299
The Materials Project. 2020.
"Materials Data on UPClO6 by Materials Project". United States. doi:https://doi.org/10.17188/1681299. https://www.osti.gov/servlets/purl/1681299. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1681299,
title = {Materials Data on UPClO6 by Materials Project},
author = {The Materials Project},
abstractNote = {UPO6Cl crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. U is bonded to six O and one Cl atom to form distorted UClO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.92–2.25 Å. The U–Cl bond length is 3.11 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UClO6 octahedra. The corner-sharing octahedra tilt angles range from 14–36°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one U and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. Cl is bonded in a single-bond geometry to one U atom.},
doi = {10.17188/1681299},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}