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Title: Materials Data on Sr(BiPd)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1273709· OSTI ID:1273709

SrPd2Bi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 1-coordinate geometry to eight Pd and nine Bi atoms. There are a spread of Sr–Pd bond distances ranging from 3.29–3.90 Å. There are a spread of Sr–Bi bond distances ranging from 3.63–3.92 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Sr and five Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.74–2.86 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to four equivalent Sr, two equivalent Pd, and four equivalent Bi atoms. Both Pd–Pd bond lengths are 3.07 Å. There are a spread of Pd–Bi bond distances ranging from 2.77–2.84 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Sr and five Pd atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Pd atoms.

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:
1273709
Report Number(s):
mp-567114
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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