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Title: Materials Data on Co3Re25B12 by Materials Project

Abstract

Re25Co3B12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seventeen inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.58 Å. In the second Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.59 Å. In the third Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.27 Å) and two longer (2.56 Å) Re–B bond lengths. In the fourth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.26 Å) and two longer (2.58 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.57 Å. In the sixth Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.26–2.63 Å. In the seventh Re site, Re is bonded in amore » distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the eighth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.28 Å) and two longer (2.57 Å) Re–B bond lengths. In the ninth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. All Re–B bond lengths are 2.21 Å. In the tenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.26 Å. In the eleventh Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.25 Å. In the twelfth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.26 Å) Re–B bond lengths. In the thirteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.17 Å) and two longer (2.20 Å) Re–B bond lengths. In the fourteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.26 Å. In the fifteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.20 Å) and two longer (2.26 Å) Re–B bond lengths. In the sixteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.25 Å) Re–B bond lengths. In the seventeenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.21 Å) and two longer (2.26 Å) Re–B bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.08 Å) and one longer (2.10 Å) Co–B bond lengths. In the second Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.08 Å) and two longer (2.09 Å) Co–B bond lengths. In the third Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.08 Å) and two longer (2.09 Å) Co–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the second B site, B is bonded in a 6-coordinate geometry to six Re atoms. In the third B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the fourth B site, B is bonded in a 6-coordinate geometry to eight Re atoms. In the fifth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the sixth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the seventh B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the eighth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom.« less

Publication Date:
Other Number(s):
mp-1226569
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; Co3Re25B12; B-Co-Re
OSTI Identifier:
1747068
DOI:
https://doi.org/10.17188/1747068

Citation Formats

The Materials Project. Materials Data on Co3Re25B12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747068.
The Materials Project. Materials Data on Co3Re25B12 by Materials Project. United States. doi:https://doi.org/10.17188/1747068
The Materials Project. 2020. "Materials Data on Co3Re25B12 by Materials Project". United States. doi:https://doi.org/10.17188/1747068. https://www.osti.gov/servlets/purl/1747068. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1747068,
title = {Materials Data on Co3Re25B12 by Materials Project},
author = {The Materials Project},
abstractNote = {Re25Co3B12 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seventeen inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.58 Å. In the second Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.59 Å. In the third Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.27 Å) and two longer (2.56 Å) Re–B bond lengths. In the fourth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.26 Å) and two longer (2.58 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are a spread of Re–B bond distances ranging from 2.28–2.57 Å. In the sixth Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.26–2.63 Å. In the seventh Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the eighth Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.28 Å) and two longer (2.57 Å) Re–B bond lengths. In the ninth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. All Re–B bond lengths are 2.21 Å. In the tenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.26 Å. In the eleventh Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.25 Å. In the twelfth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.26 Å) Re–B bond lengths. In the thirteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.17 Å) and two longer (2.20 Å) Re–B bond lengths. In the fourteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Re–B bond distances ranging from 2.17–2.26 Å. In the fifteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.20 Å) and two longer (2.26 Å) Re–B bond lengths. In the sixteenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.16 Å) and two longer (2.25 Å) Re–B bond lengths. In the seventeenth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.21 Å) and two longer (2.26 Å) Re–B bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.08 Å) and one longer (2.10 Å) Co–B bond lengths. In the second Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.08 Å) and two longer (2.09 Å) Co–B bond lengths. In the third Co site, Co is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.08 Å) and two longer (2.09 Å) Co–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the second B site, B is bonded in a 6-coordinate geometry to six Re atoms. In the third B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the fourth B site, B is bonded in a 6-coordinate geometry to eight Re atoms. In the fifth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the sixth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the seventh B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom. In the eighth B site, B is bonded in a 6-coordinate geometry to seven Re and one Co atom.},
doi = {10.17188/1747068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}