U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho(Ni2B)6 by Materials Project
Abstract
Ho(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ho3+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Ho–B bond distances ranging from 2.96–3.29 Å. There are seven inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 1.98–2.09 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded in a 3-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.10–2.57 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.02–2.10 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded in a T-shaped geometry to three B3- atoms. There are two shorter (2.00 Å) and one longer (2.09 Å) Ni–B bond lengths. In the fifth Ni+1.25+ site, Ni+1.25+ is bonded in a distorted T-shaped geometry to three B3- atoms. There are one shorter (2.05 Å) and two longer (2.13 Å) Ni–B bondmore »
- Publication Date:
- Other Number(s):
- mp-1212548
- 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-Ho-Ni; Ho(Ni2B)6; crystal structure
- OSTI Identifier:
- 1699686
- DOI:
- https://doi.org/10.17188/1699686
Citation Formats
Materials Data on Ho(Ni2B)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699686.
Materials Data on Ho(Ni2B)6 by Materials Project. United States. doi:https://doi.org/10.17188/1699686
2020.
"Materials Data on Ho(Ni2B)6 by Materials Project". United States. doi:https://doi.org/10.17188/1699686. https://www.osti.gov/servlets/purl/1699686. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1699686,
title = {Materials Data on Ho(Ni2B)6 by Materials Project},
abstractNote = {Ho(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ho3+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Ho–B bond distances ranging from 2.96–3.29 Å. There are seven inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 1.98–2.09 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded in a 3-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.10–2.57 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.02–2.10 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded in a T-shaped geometry to three B3- atoms. There are two shorter (2.00 Å) and one longer (2.09 Å) Ni–B bond lengths. In the fifth Ni+1.25+ site, Ni+1.25+ is bonded in a distorted T-shaped geometry to three B3- atoms. There are one shorter (2.05 Å) and two longer (2.13 Å) Ni–B bond lengths. In the sixth Ni+1.25+ site, Ni+1.25+ is bonded in a T-shaped geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.10 Å. In the seventh Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.01–2.08 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to one Ho3+ and seven Ni+1.25+ atoms. In the second B3- site, B3- is bonded in a 7-coordinate geometry to one Ho3+ and seven Ni+1.25+ atoms. In the third B3- site, B3- is bonded in a 7-coordinate geometry to one Ho3+ and seven Ni+1.25+ atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to one Ho3+ and eight Ni+1.25+ atoms.},
doi = {10.17188/1699686},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}