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Title: Materials Data on Tl2Pb2O7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1289766· OSTI ID:1289766

Tl2Pb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tl3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.35 Å) and six longer (2.55 Å) Tl–O bond lengths. Pb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pb–O bond lengths are 2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tl3+ and two equivalent Pb4+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl3+ atoms to form a mixture of corner and edge-sharing OTl4 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:
1289766
Report Number(s):
mp-755108
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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