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Title: Materials Data on Pd(SeBr3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203970· OSTI ID:1203970

Pd(SeBr3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Pd(SeBr3)2 ribbon oriented in the (1, 0, 0) direction. Pd4+ is bonded in a distorted square co-planar geometry to two equivalent Se2- and two equivalent Br atoms. Both Pd–Se bond lengths are 2.44 Å. Both Pd–Br bond lengths are 2.47 Å. Se2- is bonded in a 5-coordinate geometry to one Pd4+ and four Br atoms. There are a spread of Se–Br bond distances ranging from 2.37–3.14 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 1-coordinate geometry to one Pd4+ and two equivalent Se2- atoms. In the second Br site, Br is bonded in a single-bond geometry to one Se2- atom. In the third Br site, Br is bonded in a single-bond geometry to one Se2- atom.

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:
1203970
Report Number(s):
mp-29496
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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