Materials Data on Mn3CrP4 by Materials Project
Abstract
CrMn3P4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Cr6+ is bonded to six P3- atoms to form distorted CrP6 octahedra that share corners with twelve MnP6 octahedra, edges with two equivalent CrP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Cr–P bond distances ranging from 2.28–2.40 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P3- atoms to form distorted MnP6 octahedra that share corners with four equivalent CrP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with six MnP6 octahedra, and faces with two equivalent CrP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Mn–P bond distances ranging from 2.28–2.41 Å. In the second Mn2+ site, Mn2+ is bonded to six P3- atoms to form distorted MnP6 octahedra that share corners with twelve MnP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent CrP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Mn–Pmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1221731
- 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; Mn3CrP4; Cr-Mn-P
- OSTI Identifier:
- 1688221
- DOI:
- https://doi.org/10.17188/1688221
Citation Formats
The Materials Project. Materials Data on Mn3CrP4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688221.
The Materials Project. Materials Data on Mn3CrP4 by Materials Project. United States. doi:https://doi.org/10.17188/1688221
The Materials Project. 2020.
"Materials Data on Mn3CrP4 by Materials Project". United States. doi:https://doi.org/10.17188/1688221. https://www.osti.gov/servlets/purl/1688221. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688221,
title = {Materials Data on Mn3CrP4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrMn3P4 is Modderite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Cr6+ is bonded to six P3- atoms to form distorted CrP6 octahedra that share corners with twelve MnP6 octahedra, edges with two equivalent CrP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Cr–P bond distances ranging from 2.28–2.40 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P3- atoms to form distorted MnP6 octahedra that share corners with four equivalent CrP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with six MnP6 octahedra, and faces with two equivalent CrP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Mn–P bond distances ranging from 2.28–2.41 Å. In the second Mn2+ site, Mn2+ is bonded to six P3- atoms to form distorted MnP6 octahedra that share corners with twelve MnP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent CrP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Mn–P bond distances ranging from 2.28–2.39 Å. In the third Mn2+ site, Mn2+ is bonded to six P3- atoms to form distorted MnP6 octahedra that share corners with four equivalent MnP6 octahedra, corners with eight equivalent CrP6 octahedra, edges with six MnP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Mn–P bond distances ranging from 2.27–2.39 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to one Cr6+ and five Mn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to one Cr6+ and five Mn2+ atoms. In the third P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Cr6+ and four Mn2+ atoms. In the fourth P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Cr6+ and four Mn2+ atoms.},
doi = {10.17188/1688221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}