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Title: Materials Data on K2P2Pd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288519· OSTI ID:1288519

K2PdP2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to six equivalent P3- atoms. There are two shorter (3.30 Å) and four longer (3.49 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent P3- atoms. There are two shorter (3.39 Å) and four longer (3.69 Å) K–P bond lengths. Pd4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent P3- atoms. All Pd–P bond lengths are 2.43 Å. P3- is bonded in a 9-coordinate geometry to six K1+, two equivalent Pd4+, and one P3- atom. The P–P bond length is 2.18 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:
1288519
Report Number(s):
mp-7505
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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