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Title: Materials Data on VRe11B4 by Materials Project

Abstract

VRe11B4 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two VRe11B4 sheets oriented in the (0, 1, 0) direction. V is bonded in a 2-coordinate geometry to four equivalent Re and two equivalent B atoms. All V–Re bond lengths are 2.73 Å. Both V–B bond lengths are 2.22 Å. There are six inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.56 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.58 Å) Re–B bond lengths. In the third Re site, Re is bonded in a 2-coordinate geometry to two equivalent V and three B atoms. There are two shorter (2.28 Å) and one longer (2.46 Å) Re–B bond lengths. In the fourth Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.24 Å) and one longer (2.58 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a distorted L-shaped geometry to twomore » equivalent B atoms. Both Re–B bond lengths are 2.22 Å. In the sixth Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 2-coordinate geometry to two equivalent V and six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to eight Re atoms. In the third B site, B is bonded in a 6-coordinate geometry to eight Re atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1216295
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; VRe11B4; B-Re-V
OSTI Identifier:
1719604
DOI:
https://doi.org/10.17188/1719604

Citation Formats

The Materials Project. Materials Data on VRe11B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719604.
The Materials Project. Materials Data on VRe11B4 by Materials Project. United States. doi:https://doi.org/10.17188/1719604
The Materials Project. 2020. "Materials Data on VRe11B4 by Materials Project". United States. doi:https://doi.org/10.17188/1719604. https://www.osti.gov/servlets/purl/1719604. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1719604,
title = {Materials Data on VRe11B4 by Materials Project},
author = {The Materials Project},
abstractNote = {VRe11B4 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two VRe11B4 sheets oriented in the (0, 1, 0) direction. V is bonded in a 2-coordinate geometry to four equivalent Re and two equivalent B atoms. All V–Re bond lengths are 2.73 Å. Both V–B bond lengths are 2.22 Å. There are six inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.56 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.58 Å) Re–B bond lengths. In the third Re site, Re is bonded in a 2-coordinate geometry to two equivalent V and three B atoms. There are two shorter (2.28 Å) and one longer (2.46 Å) Re–B bond lengths. In the fourth Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.24 Å) and one longer (2.58 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.22 Å. In the sixth Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 2-coordinate geometry to two equivalent V and six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to eight Re atoms. In the third B site, B is bonded in a 6-coordinate geometry to eight Re atoms.},
doi = {10.17188/1719604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}