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Title: Materials Data on AgClO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317131· OSTI ID:1317131

AgO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one AgO2Cl sheet oriented in the (0, 0, 1) direction. Ag is bonded to one O and five equivalent Cl atoms to form a mixture of edge and corner-sharing AgCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. The Ag–O bond length is 2.75 Å. There are four shorter (2.71 Å) and one longer (2.87 Å) Ag–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded to five equivalent Ag atoms to form a mixture of edge and corner-sharing ClAg5 square pyramids.

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:
1317131
Report Number(s):
mp-997013
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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