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Title: Materials Data on Re2O7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1320542· OSTI ID:1320542

Re2O7 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Re2O7 sheets oriented in the (0, 1, 0) direction. Re7+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 13–25°. There are a spread of Re–O bond distances ranging from 1.74–1.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re7+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms.

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:
1320542
Report Number(s):
mvc-3381
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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