U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Mn12P7 by Materials Project
Abstract
Sm2Mn12P7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six P atoms. All Sm–P bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six P atoms. All Sm–P bond lengths are 2.88 Å. There are twelve inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of distorted edgemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1005829
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Sm2Mn12P7; Mn-P-Sm
- OSTI Identifier:
- 1314950
- DOI:
- https://doi.org/10.17188/1314950
Citation Formats
The Materials Project. Materials Data on Sm2Mn12P7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314950.
The Materials Project. Materials Data on Sm2Mn12P7 by Materials Project. United States. doi:https://doi.org/10.17188/1314950
The Materials Project. 2020.
"Materials Data on Sm2Mn12P7 by Materials Project". United States. doi:https://doi.org/10.17188/1314950. https://www.osti.gov/servlets/purl/1314950. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1314950,
title = {Materials Data on Sm2Mn12P7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Mn12P7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six P atoms. All Sm–P bond lengths are 2.89 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six P atoms. All Sm–P bond lengths are 2.88 Å. There are twelve inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the third Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Mn–P bond lengths. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.29 Å. In the fifth Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.29 Å. In the sixth Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are one shorter (2.23 Å) and three longer (2.29 Å) Mn–P bond lengths. In the seventh Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the eighth Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the ninth Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the tenth 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 2.42–2.56 Å. In the eleventh 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 2.42–2.56 Å. In the twelfth 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 2.42–2.56 Å. There are seven inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms. In the fourth P site, P is bonded in a 3-coordinate geometry to nine Mn atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms. In the seventh P site, P is bonded in a 9-coordinate geometry to two equivalent Sm and seven Mn atoms.},
doi = {10.17188/1314950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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