Materials Data on La2PC by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1311666
- Report Number(s):
- mp-866691
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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