Materials Data on CsZn4P3 by Materials Project
CsZn4P3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Cs–P bond lengths are 3.76 Å. Zn2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.59 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1654185
- Report Number(s):
- mp-1101093
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on RbZn4P3 by Materials Project
Materials Data on Ba(ZnP)2 by Materials Project
Materials Data on CsZn4As3 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1314725
Materials Data on Ba(ZnP)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1287964
Materials Data on CsZn4As3 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1721910