U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1216295
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-Re-V; VRe11B4; crystal structure
- OSTI Identifier:
- 1719604
- DOI:
- https://doi.org/10.17188/1719604
Citation Formats
Materials Data on VRe11B4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719604.
Materials Data on VRe11B4 by Materials Project. United States. doi:https://doi.org/10.17188/1719604
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 04:00:00 UTC 2020
@article{osti_1719604,
title = {Materials Data on VRe11B4 by 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}
}