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Title: Materials Data on CdSb5OF28 by Materials Project

Abstract

(CdSb5F28)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four water molecules and two CdSb5F28 ribbons oriented in the (1, 0, 0) direction. In each CdSb5F28 ribbon, Cd is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Cd–F bond distances ranging from 2.33–2.68 Å. There are five inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.87–2.08 Å. In the third Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the fourth Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Sb–F bond distances ranging from 1.88–2.11 Å. In themore » fifth Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.05 Å. There are twenty-eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Cd and one Sb atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventeenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eighteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Cd and one Sb atom. In the nineteenth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the twentieth F site, F is bonded in a single-bond geometry to one Cd and one Sb atom. In the twenty-first F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-second F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-third F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fifth F site, F is bonded in a distorted linear geometry to one Cd and one Sb atom. In the twenty-sixth F site, F is bonded in a bent 120 degrees geometry to one Cd and one Sb atom. In the twenty-seventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the twenty-eighth F site, F is bonded in a single-bond geometry to one Sb atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198900
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; CdSb5OF28; Cd-F-O-Sb
OSTI Identifier:
1696211
DOI:
https://doi.org/10.17188/1696211

Citation Formats

The Materials Project. Materials Data on CdSb5OF28 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696211.
The Materials Project. Materials Data on CdSb5OF28 by Materials Project. United States. doi:https://doi.org/10.17188/1696211
The Materials Project. 2020. "Materials Data on CdSb5OF28 by Materials Project". United States. doi:https://doi.org/10.17188/1696211. https://www.osti.gov/servlets/purl/1696211. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1696211,
title = {Materials Data on CdSb5OF28 by Materials Project},
author = {The Materials Project},
abstractNote = {(CdSb5F28)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four water molecules and two CdSb5F28 ribbons oriented in the (1, 0, 0) direction. In each CdSb5F28 ribbon, Cd is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Cd–F bond distances ranging from 2.33–2.68 Å. There are five inequivalent Sb sites. In the first Sb site, Sb is bonded in an octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.87–2.08 Å. In the third Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. In the fourth Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Sb–F bond distances ranging from 1.88–2.11 Å. In the fifth Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.88–2.05 Å. There are twenty-eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the twelfth F site, F is bonded in a single-bond geometry to one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Cd and one Sb atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventeenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eighteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Cd and one Sb atom. In the nineteenth F site, F is bonded in a bent 150 degrees geometry to one Cd and one Sb atom. In the twentieth F site, F is bonded in a single-bond geometry to one Cd and one Sb atom. In the twenty-first F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-second F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-third F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-fifth F site, F is bonded in a distorted linear geometry to one Cd and one Sb atom. In the twenty-sixth F site, F is bonded in a bent 120 degrees geometry to one Cd and one Sb atom. In the twenty-seventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the twenty-eighth F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1696211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}