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Materials Data on KPb2C2O6F by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1751699· OSTI ID:1751699
KPb2C2O6F crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two KPb2C2O6F sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to six equivalent O2- and three equivalent F1- atoms. All K–O bond lengths are 2.71 Å. All K–F bond lengths are 3.10 Å. Pb2+ is bonded in a 1-coordinate geometry to one F1- atom. The Pb–F bond length is 2.36 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom. F1- is bonded to three equivalent K1+ and two equivalent Pb2+ atoms to form corner-sharing FK3Pb2 trigonal bipyramids.
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:
1751699
Report Number(s):
mp-1191763
Country of Publication:
United States
Language:
English

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