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Materials Data on AgClO4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1656176· OSTI ID:1656176
AgClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag is bonded to six O atoms to form distorted AgO6 octahedra that share corners with six equivalent ClO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.55–2.71 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ag and one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded to four O atoms to form ClO4 tetrahedra that share corners with six equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 20–68°.
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:
1656176
Report Number(s):
mp-1191267
Country of Publication:
United States
Language:
English

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