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Materials Data on La(HO)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1298477· OSTI ID:1298477
La(OH)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one La(OH)3 sheet oriented in the (1, 0, 0) direction. La3+ is bonded to six O2- atoms to form distorted edge-sharing LaO6 octahedra. There are a spread of La–O bond distances ranging from 2.42–2.49 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one H1+ 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:
1298477
Report Number(s):
mp-768658
Country of Publication:
United States
Language:
English

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