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Materials Data on BaCdPb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1708243· OSTI ID:1708243
BaCdPb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to six equivalent Cd and six equivalent Pb atoms. There are a spread of Ba–Cd bond distances ranging from 3.65–3.94 Å. There are a spread of Ba–Pb bond distances ranging from 3.65–3.97 Å. Cd is bonded in a 10-coordinate geometry to six equivalent Ba, one Cd, and three equivalent Pb atoms. The Cd–Cd bond length is 2.98 Å. There are two shorter (3.14 Å) and one longer (3.28 Å) Cd–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ba, three equivalent Cd, and one Pb atom. The Pb–Pb bond length is 3.13 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1708243
Report Number(s):
mp-1228125
Country of Publication:
United States
Language:
English

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