Materials Data on U(PS3)2 by Materials Project
U(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one U(PS3)2 ribbon oriented in the (0, 0, 1) direction. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.76 Å) and four longer (2.98 Å) U–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.03 Å) and one longer (2.05 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent U4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one U4+ and one P4+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1195448
- Report Number(s):
- mp-20326
- Country of Publication:
- United States
- Language:
- English
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