Materials Data on BaP3 by Materials Project
BaP3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten P+0.67- atoms. There are a spread of Ba–P bond distances ranging from 3.25–3.64 Å. There are two inequivalent P+0.67- sites. In the first P+0.67- site, P+0.67- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and three P+0.67- atoms. There are two shorter (2.20 Å) and one longer (2.25 Å) P–P bond lengths. In the second P+0.67- site, P+0.67- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two P+0.67- atoms. The P–P bond length is 2.21 Å.
- 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:
- 1307222
- Report Number(s):
- mp-7808
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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