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Title: Materials Data on Fe5Ni4P3 by Materials Project

Abstract

Fe5Ni4P3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.78 Å. There are one shorter (2.29 Å) and one longer (2.34 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.79 Å. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.79 Å. There are one shorter (2.30 Å) and one longer (2.35 Å) Fe–P bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.79 Å. There are one shorter (2.29 Å) and one longer (2.35 Å) Fe–P bond lengths. In themore » fifth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.79 Å. There are one shorter (2.29 Å) and one longer (2.36 Å) Fe–P bond lengths. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.29 Å) and one longer (2.36 Å) Fe–P bond lengths. In the seventh Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.77 Å. There are one shorter (2.26 Å) and one longer (2.38 Å) Fe–P bond lengths. In the eighth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.28 Å) and one longer (2.36 Å) Fe–P bond lengths. In the ninth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.28 Å) and one longer (2.36 Å) Fe–P bond lengths. In the tenth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.78 Å. There are one shorter (2.27 Å) and one longer (2.37 Å) Fe–P bond lengths. In the eleventh Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.77 Å. There are one shorter (2.27 Å) and one longer (2.37 Å) Fe–P bond lengths. In the twelfth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.76 Å. There are one shorter (2.27 Å) and one longer (2.38 Å) Fe–P bond lengths. In the thirteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.30 Å. In the fourteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.52–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.30 Å. In the fifteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the sixteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.53–2.59 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.31 Å. In the seventeenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.60 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.31 Å. In the eighteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.51–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the nineteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.52 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the twentieth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.52–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.26–2.31 Å. There are sixteen inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to six Fe, four Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.20–2.33 Å. In the second Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.61–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.19–2.35 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.59–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.20–2.35 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.33 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.33 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to six Fe, four Ni, and three P atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.34 Å. In the seventh Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to eight Fe, two equivalent Ni, and three P atoms. There are one shorter (2.67 Å) and one longer (2.69 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to eight Fe, two equivalent Ni, and three P atoms. There are one shorter (2.68 Å) and one longer (2.70 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the tenth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.34 Å. In the eleventh Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the twelfth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the thirteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.28–2.31 Å. In the fourteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.31 Å. In the fifteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.31 Å. In the sixteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.31 Å. There are twelve inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to six Fe and three Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to six Fe and three Ni atoms. In the seventh P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the eighth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the ninth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the tenth P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the eleventh P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the twelfth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1225371
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; Fe5Ni4P3; Fe-Ni-P
OSTI Identifier:
1716876
DOI:
https://doi.org/10.17188/1716876

Citation Formats

The Materials Project. Materials Data on Fe5Ni4P3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716876.
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The Materials Project. Materials Data on Fe5Ni4P3 by Materials Project. United States. doi:https://doi.org/10.17188/1716876
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The Materials Project. 2020. "Materials Data on Fe5Ni4P3 by Materials Project". United States. doi:https://doi.org/10.17188/1716876. https://www.osti.gov/servlets/purl/1716876. Pub date:Fri May 01 00:00:00 EDT 2020
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@article{osti_1716876,
title = {Materials Data on Fe5Ni4P3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe5Ni4P3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.78 Å. There are one shorter (2.29 Å) and one longer (2.34 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.79 Å. There are one shorter (2.30 Å) and one longer (2.34 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.47–2.79 Å. There are one shorter (2.30 Å) and one longer (2.35 Å) Fe–P bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.79 Å. There are one shorter (2.29 Å) and one longer (2.35 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.79 Å. There are one shorter (2.29 Å) and one longer (2.36 Å) Fe–P bond lengths. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.29 Å) and one longer (2.36 Å) Fe–P bond lengths. In the seventh Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.77 Å. There are one shorter (2.26 Å) and one longer (2.38 Å) Fe–P bond lengths. In the eighth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.28 Å) and one longer (2.36 Å) Fe–P bond lengths. In the ninth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.80 Å. There are one shorter (2.28 Å) and one longer (2.36 Å) Fe–P bond lengths. In the tenth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.78 Å. There are one shorter (2.27 Å) and one longer (2.37 Å) Fe–P bond lengths. In the eleventh Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.77 Å. There are one shorter (2.27 Å) and one longer (2.37 Å) Fe–P bond lengths. In the twelfth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.76 Å. There are one shorter (2.27 Å) and one longer (2.38 Å) Fe–P bond lengths. In the thirteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.30 Å. In the fourteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.52–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.30 Å. In the fifteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the sixteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.53–2.59 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.31 Å. In the seventeenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.53 Å) and one longer (2.60 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.31 Å. In the eighteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.51–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the nineteenth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.52 Å) and one longer (2.61 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.32 Å. In the twentieth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.52–2.61 Å. There are a spread of Fe–P bond distances ranging from 2.26–2.31 Å. There are sixteen inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to six Fe, four Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.54–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.20–2.33 Å. In the second Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.61–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.19–2.35 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.59–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.20–2.35 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.33 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–P bond distances ranging from 2.22–2.33 Å. In the sixth Ni site, Ni is bonded in a 3-coordinate geometry to six Fe, four Ni, and three P atoms. There are one shorter (2.53 Å) and one longer (2.62 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.34 Å. In the seventh Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to eight Fe, two equivalent Ni, and three P atoms. There are one shorter (2.67 Å) and one longer (2.69 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to eight Fe, two equivalent Ni, and three P atoms. There are one shorter (2.68 Å) and one longer (2.70 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the tenth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.34 Å. In the eleventh Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the twelfth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.51 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the thirteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.28–2.31 Å. In the fourteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.31 Å. In the fifteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.31 Å. In the sixteenth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.27–2.31 Å. There are twelve inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to six Fe and three Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to six Fe and three Ni atoms. In the seventh P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the eighth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the ninth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the tenth P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the eleventh P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the twelfth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms.},
doi = {10.17188/1716876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1716876
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