Materials Data on Sm2Mn12P7 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1314950
- Report Number(s):
- mp-1005829
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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