U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoCo5P3 by Materials Project
Abstract
HoCo5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six P3- atoms to form distorted HoP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with ten CoP4 tetrahedra, and faces with two equivalent HoP6 pentagonal pyramids. There are a spread of Ho–P bond distances ranging from 2.78–2.85 Å. There are five inequivalent Co+1.20+ sites. In the first Co+1.20+ site, Co+1.20+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.20–2.58 Å. In the second Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent HoP6 pentagonal pyramids, corners with thirteen CoP4 tetrahedra, edges with three equivalent HoP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.28–2.31 Å. In the third Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent HoP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three equivalent HoP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.16–2.33more »
- Publication Date:
- Other Number(s):
- mp-1199038
- 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-Ho-P; HoCo5P3; crystal structure
- OSTI Identifier:
- 1711132
- DOI:
- https://doi.org/10.17188/1711132
Citation Formats
Materials Data on HoCo5P3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711132.
Materials Data on HoCo5P3 by Materials Project. United States. doi:https://doi.org/10.17188/1711132
2020.
"Materials Data on HoCo5P3 by Materials Project". United States. doi:https://doi.org/10.17188/1711132. https://www.osti.gov/servlets/purl/1711132. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1711132,
title = {Materials Data on HoCo5P3 by Materials Project},
abstractNote = {HoCo5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six P3- atoms to form distorted HoP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with ten CoP4 tetrahedra, and faces with two equivalent HoP6 pentagonal pyramids. There are a spread of Ho–P bond distances ranging from 2.78–2.85 Å. There are five inequivalent Co+1.20+ sites. In the first Co+1.20+ site, Co+1.20+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.20–2.58 Å. In the second Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent HoP6 pentagonal pyramids, corners with thirteen CoP4 tetrahedra, edges with three equivalent HoP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.28–2.31 Å. In the third Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent HoP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three equivalent HoP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.16–2.33 Å. In the fourth Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent HoP6 pentagonal pyramids, corners with nine CoP4 tetrahedra, edges with three equivalent HoP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.26–2.30 Å. In the fifth Co+1.20+ site, Co+1.20+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with six equivalent HoP6 pentagonal pyramids, corners with eight CoP4 tetrahedra, an edgeedge with one HoP6 pentagonal pyramid, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Ho3+ and seven Co+1.20+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Ho3+ and seven Co+1.20+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Ho3+ and seven Co+1.20+ atoms.},
doi = {10.17188/1711132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}