Materials Data on U(WC)4 by Materials Project
UW4C4 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All U–C bond lengths are 2.49 Å. In the second U4+ site, U4+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All U–C bond lengths are 2.53 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to four C4- atoms to form corner-sharing WC4 trigonal pyramids. There are one shorter (2.09 Å) and three longer (2.11 Å) W–C bond lengths. In the second W3+ site, W3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of W–C bond distances ranging from 2.13–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to two equivalent U4+ and four W3+ atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedra tilt angles range from 0–67°. In the second C4- site, C4- is bonded to two equivalent U4+ and four W3+ atoms to form a mixture of edge, face, and corner-sharing CU2W4 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.
- 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:
- 1664814
- Report Number(s):
- mp-1189752
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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