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Title: Materials Data on K2CuPb(NO2)6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277608· OSTI ID:1277608

K2PbCu(NO2)6 crystallizes in the cubic F23 space group. The structure is three-dimensional and consists of four copper molecules and one K2Pb(NO2)6 framework. In the K2Pb(NO2)6 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to twelve equivalent O2- atoms to form edge-sharing KO12 cuboctahedra. All K–O bond lengths are 3.21 Å. Pb2+ is bonded in a distorted q6 geometry to twelve equivalent O2- atoms. All Pb–O bond lengths are 2.72 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. O2- is bonded in a distorted single-bond geometry to two K1+, one Pb2+, and one N3+ atom.

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:
1277608
Report Number(s):
mp-608162
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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