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Title: Materials Data on LaSO5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1679401· OSTI ID:1679401

LaSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.45–2.78 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one S atom. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent La atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one S atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent La and one S atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent La and one S 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:
1679401
Report Number(s):
mp-1193569
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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