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Title: Materials Data on La3(OsO5)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201535· OSTI ID:1201535

La3Os2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.72 Å. Os+5.50+ is bonded to six O2- atoms to form edge-sharing OsO6 octahedra. There are a spread of Os–O bond distances ranging from 1.93–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Os+5.50+ atom. In the second O2- site, O2- is bonded to three La3+ and one Os+5.50+ atom to form a mixture of edge and corner-sharing OLa3Os tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Os+5.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Os+5.50+ atoms.

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:
1201535
Report Number(s):
mp-27330
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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