U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2Mn12P7 by Materials Project
Abstract
Tb2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent P atoms. All Tb–P bond lengths are 2.85 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent P atoms. All Tb–P bond lengths are 2.86 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.33–2.39 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.30 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.35 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distancesmore »
- Publication Date:
- Other Number(s):
- mp-1191573
- 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; Mn-P-Tb; Tb2Mn12P7; crystal structure
- OSTI Identifier:
- 1718431
- DOI:
- https://doi.org/10.17188/1718431
Citation Formats
Materials Data on Tb2Mn12P7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718431.
Materials Data on Tb2Mn12P7 by Materials Project. United States. doi:https://doi.org/10.17188/1718431
2020.
"Materials Data on Tb2Mn12P7 by Materials Project". United States. doi:https://doi.org/10.17188/1718431. https://www.osti.gov/servlets/purl/1718431. Pub date:Thu Jun 04 04:00:00 UTC 2020
@article{osti_1718431,
title = {Materials Data on Tb2Mn12P7 by Materials Project},
abstractNote = {Tb2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent P atoms. All Tb–P bond lengths are 2.85 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent P atoms. All Tb–P bond lengths are 2.86 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.33–2.39 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.30 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.35 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.43–2.57 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tb and seven Mn atoms. In the third P site, P is bonded in a 3-coordinate geometry to nine Mn atoms.},
doi = {10.17188/1718431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}