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Title: Materials Data on BaPIr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1312972· OSTI ID:1312972

BaIrP crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to four equivalent Ir and four equivalent P atoms. There are one shorter (3.14 Å) and three longer (3.42 Å) Ba–Ir bond lengths. There are one shorter (3.18 Å) and three longer (3.42 Å) Ba–P bond lengths. Ir is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent P atoms. All Ir–P bond lengths are 2.35 Å. P is bonded in a 7-coordinate geometry to four equivalent Ba and three equivalent Ir 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:
1312972
Report Number(s):
mp-9078
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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