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Materials Data on PbS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1269971· OSTI ID:1269971
PbS crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two PbS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.06 Å. In the second Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.01 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms.
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:
1269971
Report Number(s):
mp-557719
Country of Publication:
United States
Language:
English

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