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Title: Materials Data on Mn8Si3P by Materials Project

Abstract

Mn8Si3P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twenty-four inequivalent Mn sites. In the first Mn site, Mn is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.34 Å) Mn–Si bond lengths. In the second Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the third Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the fourth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the fifth Mnmore » site, Mn is bonded to three Si and one P atom to form distorted MnSi3P tetrahedra that share corners with ten MnSi4 tetrahedra and edges with two MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the sixth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the seventh Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the eighth Mn site, Mn is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.29–2.34 Å. In the ninth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.29 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.28 Å. In the tenth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the eleventh Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the twelfth Mn site, Mn is bonded to four Si atoms to form distorted MnSi4 tetrahedra that share corners with ten MnSi4 tetrahedra and edges with two MnSi3P tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.30–2.35 Å. In the thirteenth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.47–2.51 Å. In the fourteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the fifteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.50 Å) and two longer (2.52 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the sixteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. All Mn–Si bond lengths are 2.52 Å. Both Mn–P bond lengths are 2.48 Å. In the seventeenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the eighteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the nineteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twentieth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.49–2.51 Å. In the twenty-first Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.51 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-second Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.48 Å) and two longer (2.52 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-third Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.48 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-fourth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.50 Å) and four longer (2.51 Å) Mn–Si bond lengths. There are nine inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the fifth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the sixth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the seventh Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the eighth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the ninth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222052
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; Mn8Si3P; Mn-P-Si
OSTI Identifier:
1682823
DOI:
https://doi.org/10.17188/1682823

Citation Formats

The Materials Project. Materials Data on Mn8Si3P by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682823.
The Materials Project. Materials Data on Mn8Si3P by Materials Project. United States. doi:https://doi.org/10.17188/1682823
The Materials Project. 2019. "Materials Data on Mn8Si3P by Materials Project". United States. doi:https://doi.org/10.17188/1682823. https://www.osti.gov/servlets/purl/1682823. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682823,
title = {Materials Data on Mn8Si3P by Materials Project},
author = {The Materials Project},
abstractNote = {Mn8Si3P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are twenty-four inequivalent Mn sites. In the first Mn site, Mn is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MnSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.34 Å) Mn–Si bond lengths. In the second Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the third Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the fourth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the fifth Mn site, Mn is bonded to three Si and one P atom to form distorted MnSi3P tetrahedra that share corners with ten MnSi4 tetrahedra and edges with two MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the sixth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the seventh Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the eighth Mn site, Mn is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.29–2.34 Å. In the ninth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.29 Å) and one longer (2.34 Å) Mn–Si bond lengths. The Mn–P bond length is 2.28 Å. In the tenth Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the eleventh Mn site, Mn is bonded to three Si and one P atom to form a mixture of distorted edge and corner-sharing MnSi3P tetrahedra. There are two shorter (2.30 Å) and one longer (2.35 Å) Mn–Si bond lengths. The Mn–P bond length is 2.29 Å. In the twelfth Mn site, Mn is bonded to four Si atoms to form distorted MnSi4 tetrahedra that share corners with ten MnSi4 tetrahedra and edges with two MnSi3P tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.30–2.35 Å. In the thirteenth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.47–2.51 Å. In the fourteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the fifteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.50 Å) and two longer (2.52 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the sixteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. All Mn–Si bond lengths are 2.52 Å. Both Mn–P bond lengths are 2.48 Å. In the seventeenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the eighteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.47 Å. In the nineteenth Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twentieth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.49–2.51 Å. In the twenty-first Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.49 Å) and two longer (2.51 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-second Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.48 Å) and two longer (2.52 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-third Mn site, Mn is bonded in a 5-coordinate geometry to three Si and two equivalent P atoms. There are one shorter (2.48 Å) and two longer (2.53 Å) Mn–Si bond lengths. Both Mn–P bond lengths are 2.48 Å. In the twenty-fourth Mn site, Mn is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.50 Å) and four longer (2.51 Å) Mn–Si bond lengths. There are nine inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the fifth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the sixth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the seventh Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the eighth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. In the ninth Si site, Si is bonded in a 9-coordinate geometry to nine Mn atoms. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.},
doi = {10.17188/1682823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}