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Title: Materials Data on La2PC by Materials Project

Abstract

La2CP crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.72–3.13 Å. There are a spread of La–P bond distances ranging from 2.90–3.34 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.78–2.96 Å. There are a spread of La–P bond distances ranging from 2.92–3.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.62–3.05 Å. There are a spread of La–P bond distances ranging from 2.93–3.54 Å. In the fourth La3+ site, La3+ is bonded in a 5-coordinate geometry to three C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.75–2.84 Å. There are a spread of La–P bond distances ranging from 2.93–3.41 Å. In the fifth La3+ site, La3+ is bonded in amore » 7-coordinate geometry to two C3- and five P3- atoms. There are one shorter (2.67 Å) and one longer (2.87 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.91–3.43 Å. In the sixth La3+ site, La3+ is bonded in a 9-coordinate geometry to six C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.71–3.09 Å. There are one shorter (3.31 Å) and two longer (3.42 Å) La–P bond lengths. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to two C3- and five P3- atoms. There are one shorter (2.71 Å) and one longer (2.76 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.90–3.42 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to four C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.69–2.82 Å. There are a spread of La–P bond distances ranging from 2.95–3.44 Å. In the ninth La3+ site, La3+ is bonded in a 6-coordinate geometry to two C3- and four P3- atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.90–3.37 Å. In the tenth La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.61–3.04 Å. There are a spread of La–P bond distances ranging from 2.95–3.51 Å. In the eleventh La3+ site, La3+ is bonded in a 6-coordinate geometry to one C3- and five P3- atoms. The La–C bond length is 2.58 Å. There are a spread of La–P bond distances ranging from 2.93–3.29 Å. In the twelfth La3+ site, La3+ is bonded in a 6-coordinate geometry to one C3- and five P3- atoms. The La–C bond length is 2.71 Å. There are a spread of La–P bond distances ranging from 2.94–3.29 Å. In the thirteenth La3+ site, La3+ is bonded in a distorted octahedral geometry to three C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.87–2.95 Å. There are two shorter (2.93 Å) and one longer (2.94 Å) La–P bond lengths. In the fourteenth La3+ site, La3+ is bonded in a 4-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.62–3.08 Å. There are a spread of La–P bond distances ranging from 2.94–3.44 Å. In the fifteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.66–2.92 Å. There are a spread of La–P bond distances ranging from 2.93–3.45 Å. In the sixteenth La3+ site, La3+ is bonded in a 4-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.64–3.00 Å. There are a spread of La–P bond distances ranging from 2.92–3.46 Å. There are eight inequivalent C3- sites. In the first C3- site, C3- is bonded in a distorted pentagonal bipyramidal geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the second C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the third C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the fourth C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. In the fifth C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. In the sixth C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. In the seventh C3- site, C3- is bonded in a 6-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.36 Å. In the eighth C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. There are eight inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the fifth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the sixth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the seventh P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the eighth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-866691
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; La2PC; C-La-P
OSTI Identifier:
1311666
DOI:
https://doi.org/10.17188/1311666

Citation Formats

The Materials Project. Materials Data on La2PC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311666.
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The Materials Project. Materials Data on La2PC by Materials Project. United States. doi:https://doi.org/10.17188/1311666
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The Materials Project. 2020. "Materials Data on La2PC by Materials Project". United States. doi:https://doi.org/10.17188/1311666. https://www.osti.gov/servlets/purl/1311666. Pub date:Sat May 02 00:00:00 EDT 2020
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@article{osti_1311666,
title = {Materials Data on La2PC by Materials Project},
author = {The Materials Project},
abstractNote = {La2CP crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.72–3.13 Å. There are a spread of La–P bond distances ranging from 2.90–3.34 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.78–2.96 Å. There are a spread of La–P bond distances ranging from 2.92–3.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.62–3.05 Å. There are a spread of La–P bond distances ranging from 2.93–3.54 Å. In the fourth La3+ site, La3+ is bonded in a 5-coordinate geometry to three C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.75–2.84 Å. There are a spread of La–P bond distances ranging from 2.93–3.41 Å. In the fifth La3+ site, La3+ is bonded in a 7-coordinate geometry to two C3- and five P3- atoms. There are one shorter (2.67 Å) and one longer (2.87 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.91–3.43 Å. In the sixth La3+ site, La3+ is bonded in a 9-coordinate geometry to six C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.71–3.09 Å. There are one shorter (3.31 Å) and two longer (3.42 Å) La–P bond lengths. In the seventh La3+ site, La3+ is bonded in a 7-coordinate geometry to two C3- and five P3- atoms. There are one shorter (2.71 Å) and one longer (2.76 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.90–3.42 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to four C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.69–2.82 Å. There are a spread of La–P bond distances ranging from 2.95–3.44 Å. In the ninth La3+ site, La3+ is bonded in a 6-coordinate geometry to two C3- and four P3- atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) La–C bond lengths. There are a spread of La–P bond distances ranging from 2.90–3.37 Å. In the tenth La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.61–3.04 Å. There are a spread of La–P bond distances ranging from 2.95–3.51 Å. In the eleventh La3+ site, La3+ is bonded in a 6-coordinate geometry to one C3- and five P3- atoms. The La–C bond length is 2.58 Å. There are a spread of La–P bond distances ranging from 2.93–3.29 Å. In the twelfth La3+ site, La3+ is bonded in a 6-coordinate geometry to one C3- and five P3- atoms. The La–C bond length is 2.71 Å. There are a spread of La–P bond distances ranging from 2.94–3.29 Å. In the thirteenth La3+ site, La3+ is bonded in a distorted octahedral geometry to three C3- and three P3- atoms. There are a spread of La–C bond distances ranging from 2.87–2.95 Å. There are two shorter (2.93 Å) and one longer (2.94 Å) La–P bond lengths. In the fourteenth La3+ site, La3+ is bonded in a 4-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.62–3.08 Å. There are a spread of La–P bond distances ranging from 2.94–3.44 Å. In the fifteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.66–2.92 Å. There are a spread of La–P bond distances ranging from 2.93–3.45 Å. In the sixteenth La3+ site, La3+ is bonded in a 4-coordinate geometry to three C3- and four P3- atoms. There are a spread of La–C bond distances ranging from 2.64–3.00 Å. There are a spread of La–P bond distances ranging from 2.92–3.46 Å. There are eight inequivalent C3- sites. In the first C3- site, C3- is bonded in a distorted pentagonal bipyramidal geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the second C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the third C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.37 Å. In the fourth C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. In the fifth C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. In the sixth C3- site, C3- is bonded in a 6-coordinate geometry to five La3+ and one C3- atom. In the seventh C3- site, C3- is bonded in a 6-coordinate geometry to six La3+ and one C3- atom. The C–C bond length is 1.36 Å. In the eighth C3- site, C3- is bonded in a 7-coordinate geometry to six La3+ and one C3- atom. There are eight inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the fifth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the sixth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the seventh P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms. In the eighth P3- site, P3- is bonded in a 8-coordinate geometry to eight La3+ atoms.},
doi = {10.17188/1311666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1311666
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