Materials Data on CeSiP3 by Materials Project
CeSiP2P crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of eight cerio molecules; eight phosphane molecules; and two SiP2 sheets oriented in the (0, 0, 1) direction. In each SiP2 sheet, there are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.19–2.23 Å. In the second Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.18–2.26 Å. In the third Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.19–2.25 Å. In the fourth Si4- site, Si4- is bonded to four P+0.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.18–2.24 Å. There are eight inequivalent P+0.33+ sites. In the first P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the second P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the fourth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the fifth P+0.33+ site, P+0.33+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the sixth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the seventh P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the eighth P+0.33+ site, P+0.33+ is bonded in a single-bond geometry to one Si4- atom.
- 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:
- 1281109
- Report Number(s):
- mp-651900
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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