Materials Data on UMnSe3 by Materials Project
UMnSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–3.25 Å. Mn2+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.44 Å) and four longer (2.48 Å) Mn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent U4+ and two equivalent Mn2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent U4+ and two equivalent Mn2+ atoms.
- 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:
- 1195099
- Report Number(s):
- mp-19912
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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