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Title: Materials Data on PdS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195383· OSTI ID:1195383

PdS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.34 Å. S2- is bonded to four Pd2+ atoms to form a mixture of distorted corner and edge-sharing SPd4 trigonal pyramids.

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:
1195383
Report Number(s):
mp-20250
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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