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Title: Materials Data on RbMg(ClO2)3 by Materials Project

Abstract

RbMg(O2Cl)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Rb–O bond distances ranging from 2.92–2.99 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.17 Å. There are one shorter (3.43 Å) and one longer (3.54 Å) Rb–Cl bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a square pyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.15 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.23 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.66 Å. In the second O site, O is bonded inmore » a distorted bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.71 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.70 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.66 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.26 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.56 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a water-like geometry to one Rb and one Cl atom. The O–Cl bond length is 1.53 Å. In the ninth O site, O is bonded in a 2-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.70 Å. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.74 Å. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.75 Å. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.68 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one Rb and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a 2-coordinate geometry to two O atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the fifth Cl site, Cl is bonded in a distorted linear geometry to two O atoms. In the sixth Cl site, Cl is bonded in a 2-coordinate geometry to one Rb and two O atoms.« less

Publication Date:
Other Number(s):
mp-1209754
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbMg(ClO2)3; Cl-Mg-O-Rb
OSTI Identifier:
1685842
DOI:
https://doi.org/10.17188/1685842

Citation Formats

The Materials Project. Materials Data on RbMg(ClO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685842.
The Materials Project. Materials Data on RbMg(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1685842
The Materials Project. 2019. "Materials Data on RbMg(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1685842. https://www.osti.gov/servlets/purl/1685842. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685842,
title = {Materials Data on RbMg(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbMg(O2Cl)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Rb–O bond distances ranging from 2.92–2.99 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.17 Å. There are one shorter (3.43 Å) and one longer (3.54 Å) Rb–Cl bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a square pyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.15 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.23 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.66 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.71 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.70 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.66 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.26 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.56 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a water-like geometry to one Rb and one Cl atom. The O–Cl bond length is 1.53 Å. In the ninth O site, O is bonded in a 2-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.70 Å. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.74 Å. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Rb, one Mg, and one Cl atom. The O–Cl bond length is 1.75 Å. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.68 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to one Rb and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a 2-coordinate geometry to two O atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the fifth Cl site, Cl is bonded in a distorted linear geometry to two O atoms. In the sixth Cl site, Cl is bonded in a 2-coordinate geometry to one Rb and two O atoms.},
doi = {10.17188/1685842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}