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Title: Materials Data on RbCdH2I3O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279382· OSTI ID:1279382

RbCdH2OI3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two RbCdH2OI3 sheets oriented in the (1, 0, 0) direction. Rb1+ is bonded in a 2-coordinate geometry to two equivalent O2- and one I1- atom. There are one shorter (2.94 Å) and one longer (2.99 Å) Rb–O bond lengths. The Rb–I bond length is 3.83 Å. Cd2+ is bonded to four I1- atoms to form corner-sharing CdI4 tetrahedra. There are a spread of Cd–I bond distances ranging from 2.79–2.90 Å. There are two 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent Rb1+ and two H1+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to one Rb1+ and one Cd2+ atom. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Cd2+ atoms. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Cd2+ 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:
1279382
Report Number(s):
mp-634062
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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