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Title: Materials Data on Mg2Cd(ClO2)6 by Materials Project

Abstract

Mg2Cd(O2Cl)6 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Mg2Cd(O2Cl)6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.57 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to four O and one Cl atom. There are a spread of Mg–O bond distances ranging from 1.97–2.20 Å. The Mg–Cl bond length is 2.46 Å. Cd is bonded in a trigonal planar geometry to three Cl atoms. There are a spread of Cd–Cl bond distances ranging from 2.37–2.50 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a bent 120 degrees geometry to onemore » Mg and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.55 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.56 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mg atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.54 Å. In the ninth O site, O is bonded in a linear geometry to one Mg and one Cl atom. The O–Cl bond length is 1.52 Å. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to one Mg and one Cd atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Cd atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Cd atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198304
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg2Cd(ClO2)6; Cd-Cl-Mg-O
OSTI Identifier:
1684112
DOI:
https://doi.org/10.17188/1684112

Citation Formats

The Materials Project. Materials Data on Mg2Cd(ClO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684112.
The Materials Project. Materials Data on Mg2Cd(ClO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1684112
The Materials Project. 2020. "Materials Data on Mg2Cd(ClO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1684112. https://www.osti.gov/servlets/purl/1684112. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684112,
title = {Materials Data on Mg2Cd(ClO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Cd(O2Cl)6 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Mg2Cd(O2Cl)6 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.57 Å. In the second Mg site, Mg is bonded in a trigonal bipyramidal geometry to four O and one Cl atom. There are a spread of Mg–O bond distances ranging from 1.97–2.20 Å. The Mg–Cl bond length is 2.46 Å. Cd is bonded in a trigonal planar geometry to three Cl atoms. There are a spread of Cd–Cl bond distances ranging from 2.37–2.50 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.55 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.56 Å. In the seventh O site, O is bonded in a single-bond geometry to one Mg atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.54 Å. In the ninth O site, O is bonded in a linear geometry to one Mg and one Cl atom. The O–Cl bond length is 1.52 Å. In the tenth O site, O is bonded in a single-bond geometry to one O atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the fourth Cl site, Cl is bonded in a bent 120 degrees geometry to one Mg and one Cd atom. In the fifth Cl site, Cl is bonded in a single-bond geometry to one Cd atom. In the sixth Cl site, Cl is bonded in a single-bond geometry to one Cd atom.},
doi = {10.17188/1684112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}