U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn(SbS2)2 by Materials Project
Abstract
MnSb2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with two equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with three equivalent SbS5 square pyramids. There are a spread of Mn–S bond distances ranging from 2.51–2.70 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with four equivalent SbS5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Sb–S bond distances ranging from 2.52–2.93 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–3.23 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mn2+ and four Sb3+ atoms. In the second S2- site, S2- is bonded to two equivalent Mn2+ and three equivalent Sb3+ atoms to form distorted edge-sharing SMn2Sb3 square pyramids. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-5807
- 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; Mn(SbS2)2; Mn-S-Sb
- OSTI Identifier:
- 1276791
- DOI:
- https://doi.org/10.17188/1276791
Citation Formats
The Materials Project. Materials Data on Mn(SbS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276791.
The Materials Project. Materials Data on Mn(SbS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1276791
The Materials Project. 2020.
"Materials Data on Mn(SbS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1276791. https://www.osti.gov/servlets/purl/1276791. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276791,
title = {Materials Data on Mn(SbS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSb2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with two equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with three equivalent SbS5 square pyramids. There are a spread of Mn–S bond distances ranging from 2.51–2.70 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with four equivalent SbS5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Sb–S bond distances ranging from 2.52–2.93 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–3.23 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mn2+ and four Sb3+ atoms. In the second S2- site, S2- is bonded to two equivalent Mn2+ and three equivalent Sb3+ atoms to form distorted edge-sharing SMn2Sb3 square pyramids. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms.},
doi = {10.17188/1276791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}