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Title: Materials Data on Ba(PIr)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187606· OSTI ID:1187606

BaIr2P2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent P atoms. All Ba–P bond lengths are 3.40 Å. Ir is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing IrP4 tetrahedra. All Ir–P bond lengths are 2.38 Å. P is bonded in a 8-coordinate geometry to four equivalent Ba and four 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:
1187606
Report Number(s):
mp-11169
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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