Materials Data on UTe(PbO4)2 by Materials Project
UTe(PbO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are two shorter (1.88 Å) and four longer (2.25 Å) U–O bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.09 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 37–42°. There are a spread of Te–O bond distances ranging from 1.94–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Pb2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, one Pb2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one Te6+ atom.
- 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:
- 1710744
- Report Number(s):
- mp-1191464
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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