Materials Data on La8Te3SeO8 by Materials Project
La8Te3SeO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.55 Å. All La–O bond lengths are 2.39 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the fourth La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.58 Å. All La–O bond lengths are 2.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight La3+ atoms. In the second Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent La3+ atoms. Se2- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
- 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:
- 1751121
- Report Number(s):
- mp-1223117
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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