Materials Data on La10Se19 by Materials Project
La10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.07–3.20 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.05–3.24 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Se+1.58- atoms. There are a spread of La–Se bond distances ranging from 3.08–3.32 Å. There are six inequivalent Se+1.58- sites. In the first Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the second Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. There are one shorter (2.57 Å) and one longer (2.90 Å) Se–Se bond lengths. In the third Se+1.58- site, Se+1.58- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Se+1.58- atoms. In the fourth Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the fifth Se+1.58- site, Se+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SeLa5 trigonal bipyramids. In the sixth Se+1.58- site, Se+1.58- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.
- 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:
- 1312776
- Report Number(s):
- mp-8866
- Country of Publication:
- United States
- Language:
- English
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