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Title: Materials Data on Co6C13(SeO6)2 by Materials Project

Abstract

Co6C13(SeO6)2 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Co6C13(SeO6)2 clusters. there are six inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.92 Å. The Co–Se bond length is 2.30 Å. In the second Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.30 Å. In the third Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There is two shorter (1.77 Å) and one longer (1.93 Å) Co–C bond length. The Co–Se bond length is 2.30 Å. In the fourth Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.30 Å. In the fifth Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2-more » atom. There are a spread of Co–C bond distances ranging from 1.76–1.93 Å. The Co–Se bond length is 2.30 Å. In the sixth Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.29 Å. There are thirteen inequivalent C+1.23+ sites. In the first C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.23+ site, C+1.23+ is bonded in a 6-coordinate geometry to six Co2+ atoms. In the fourth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Co2+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Co2+ atoms. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-706566
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; Co6C13(SeO6)2; C-Co-O-Se
OSTI Identifier:
1286212
DOI:
https://doi.org/10.17188/1286212

Citation Formats

The Materials Project. Materials Data on Co6C13(SeO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286212.
The Materials Project. Materials Data on Co6C13(SeO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1286212
The Materials Project. 2020. "Materials Data on Co6C13(SeO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1286212. https://www.osti.gov/servlets/purl/1286212. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286212,
title = {Materials Data on Co6C13(SeO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co6C13(SeO6)2 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Co6C13(SeO6)2 clusters. there are six inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.92 Å. The Co–Se bond length is 2.30 Å. In the second Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.30 Å. In the third Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There is two shorter (1.77 Å) and one longer (1.93 Å) Co–C bond length. The Co–Se bond length is 2.30 Å. In the fourth Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.30 Å. In the fifth Co2+ site, Co2+ is bonded in a 4-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.93 Å. The Co–Se bond length is 2.30 Å. In the sixth Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three C+1.23+ and one Se2- atom. There are a spread of Co–C bond distances ranging from 1.76–1.94 Å. The Co–Se bond length is 2.29 Å. There are thirteen inequivalent C+1.23+ sites. In the first C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.23+ site, C+1.23+ is bonded in a 6-coordinate geometry to six Co2+ atoms. In the fourth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+1.23+ site, C+1.23+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Co2+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Co2+ atoms. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+1.23+ atom.},
doi = {10.17188/1286212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}