U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho(GaCo)6 by Materials Project
Abstract
Ho(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.18 Å) and eight longer (3.23 Å) Ho–Co bond lengths. There are two shorter (2.80 Å) and six longer (2.98 Å) Ho–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ho, four equivalent Co, and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoHo2Ga6Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. There are a spread of Co–Ga bond distances ranging from 2.52–2.65 Å. In the second Co site, Co is bonded to two equivalent Ho, four Co, and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoHo2Ga6Co4 cuboctahedra. Both Co–Co bond lengths are 2.51 Å. There are a spread of Co–Ga bond distances ranging from 2.46–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, six Co, and three Ga atoms. There are one shorter (2.67 Å) and two longer (2.86 Å) Ga–Ga bond lengths.more »
- Publication Date:
- Other Number(s):
- mp-1212396
- 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; Co-Ga-Ho; Ho(GaCo)6; crystal structure
- OSTI Identifier:
- 1691371
- DOI:
- https://doi.org/10.17188/1691371
Citation Formats
Materials Data on Ho(GaCo)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1691371.
Materials Data on Ho(GaCo)6 by Materials Project. United States. doi:https://doi.org/10.17188/1691371
2019.
"Materials Data on Ho(GaCo)6 by Materials Project". United States. doi:https://doi.org/10.17188/1691371. https://www.osti.gov/servlets/purl/1691371. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1691371,
title = {Materials Data on Ho(GaCo)6 by Materials Project},
abstractNote = {Ho(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.18 Å) and eight longer (3.23 Å) Ho–Co bond lengths. There are two shorter (2.80 Å) and six longer (2.98 Å) Ho–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ho, four equivalent Co, and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoHo2Ga6Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. There are a spread of Co–Ga bond distances ranging from 2.52–2.65 Å. In the second Co site, Co is bonded to two equivalent Ho, four Co, and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoHo2Ga6Co4 cuboctahedra. Both Co–Co bond lengths are 2.51 Å. There are a spread of Co–Ga bond distances ranging from 2.46–2.61 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, six Co, and three Ga atoms. There are one shorter (2.67 Å) and two longer (2.86 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Ho, six Co, and one Ga atom. The Ga–Ga bond length is 2.58 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, six Co, and two equivalent Ga atoms.},
doi = {10.17188/1691371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}