U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr(PPt)2 by Materials Project
Abstract
Pr(PtP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.23 Å) and four longer (3.24 Å) Pr–P bond lengths. There are two inequivalent Pt+1.50+ sites. In the first Pt+1.50+ site, Pt+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.40 Å) and four longer (2.42 Å) Pt–P bond lengths. In the second Pt+1.50+ site, Pt+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent P3- atoms. All Pt–P bond lengths are 2.54 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 10-coordinate geometry to four equivalent Pr3+, five Pt+1.50+, and one P3- atom. The P–P bond length is 2.69 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pt+1.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205688
- 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; Pr(PPt)2; P-Pr-Pt
- OSTI Identifier:
- 1681414
- DOI:
- https://doi.org/10.17188/1681414
Citation Formats
The Materials Project. Materials Data on Pr(PPt)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681414.
The Materials Project. Materials Data on Pr(PPt)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681414
The Materials Project. 2020.
"Materials Data on Pr(PPt)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681414. https://www.osti.gov/servlets/purl/1681414. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681414,
title = {Materials Data on Pr(PPt)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(PtP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.23 Å) and four longer (3.24 Å) Pr–P bond lengths. There are two inequivalent Pt+1.50+ sites. In the first Pt+1.50+ site, Pt+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.40 Å) and four longer (2.42 Å) Pt–P bond lengths. In the second Pt+1.50+ site, Pt+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent P3- atoms. All Pt–P bond lengths are 2.54 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 10-coordinate geometry to four equivalent Pr3+, five Pt+1.50+, and one P3- atom. The P–P bond length is 2.69 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pt+1.50+ atoms.},
doi = {10.17188/1681414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}