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Title: Materials Data on CdB2XeF10 by Materials Project

Abstract

XeCdB2F10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one XeCdB2F10 sheet oriented in the (0, 0, 1) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.04 Å) and one longer (2.14 Å) Xe–F bond lengths. Cd is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Cd–F bond distances ranging from 2.31–2.42 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.38–1.44 Å. In the second B site, B is bonded in a tetrahedral geometry to four F atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are ten inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Xe and one Cd atom.more » In the fourth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the sixth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the seventh F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the eighth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559282
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; CdB2XeF10; B-Cd-F-Xe
OSTI Identifier:
1270759
DOI:
10.17188/1270759

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CdB2XeF10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270759.
Persson, Kristin, & Project, Materials. Materials Data on CdB2XeF10 by Materials Project. United States. doi:10.17188/1270759.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CdB2XeF10 by Materials Project". United States. doi:10.17188/1270759. https://www.osti.gov/servlets/purl/1270759. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270759,
title = {Materials Data on CdB2XeF10 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {XeCdB2F10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one XeCdB2F10 sheet oriented in the (0, 0, 1) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.04 Å) and one longer (2.14 Å) Xe–F bond lengths. Cd is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Cd–F bond distances ranging from 2.31–2.42 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.38–1.44 Å. In the second B site, B is bonded in a tetrahedral geometry to four F atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are ten inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Xe and one Cd atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the sixth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the seventh F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the eighth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom.},
doi = {10.17188/1270759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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