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Title: Materials Data on RbLa(ClO)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1716938· OSTI ID:1716938

RbLa(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to four O and four equivalent Cl atoms. There are two shorter (3.34 Å) and two longer (3.51 Å) Rb–O bond lengths. There are two shorter (3.20 Å) and two longer (3.59 Å) Rb–Cl bond lengths. La is bonded in a 6-coordinate geometry to two equivalent O and four Cl atoms. Both La–O bond lengths are 2.39 Å. There are two shorter (2.76 Å) and two longer (3.07 Å) La–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Rb, one La, and one Cl atom. The O–Cl bond length is 1.67 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.24 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted water-like geometry to one La and one O atom. In the second Cl site, Cl is bonded in a trigonal planar geometry to two equivalent Rb and one La 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:
1716938
Report Number(s):
mp-1179722
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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