Materials Data on LuSeO3 by Materials Project
LuSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to seven O atoms to form distorted edge-sharing LuO7 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.12–2.45 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Lu–O bond distances ranging from 2.07–2.38 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.73–1.76 Å. In the second Se site, Se is bonded in a water-like geometry to two O atoms. There is one shorter (1.81 Å) and one longer (1.83 Å) Se–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Lu and one Se atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Lu and one Se atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Lu atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Lu and one Se 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:
- 1298348
- Report Number(s):
- mp-768293
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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