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Title: Materials Data on Ag5(PbO3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268878· OSTI ID:1268878

Ag5Pb2O6 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are three inequivalent Ag+1.20+ sites. In the first Ag+1.20+ site, Ag+1.20+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.15 Å. In the second Ag+1.20+ site, Ag+1.20+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.33 Å. In the third Ag+1.20+ site, Ag+1.20+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.36 Å. Pb3+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. All Pb–O bond lengths are 2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.20+ and two equivalent Pb3+ atoms to form a mixture of corner and edge-sharing OAg2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two Ag+1.20+ and two equivalent Pb3+ atoms to form a mixture of corner and edge-sharing OAg2Pb2 tetrahedra.

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:
1268878
Report Number(s):
mp-555565
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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