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Title: Materials Data on Ag3CN(ClO5)2 by Materials Project

Abstract

Ag3CN(O5Cl)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to one C, one N, and one O atom. The Ag–C bond length is 2.08 Å. The Ag–N bond length is 2.14 Å. The Ag–O bond length is 2.75 Å. In the second Ag site, Ag is bonded in a 2-coordinate geometry to one C and four O atoms. The Ag–C bond length is 2.23 Å. There are a spread of Ag–O bond distances ranging from 2.43–2.82 Å. In the third Ag site, Ag is bonded in a 5-coordinate geometry to one N and four O atoms. The Ag–N bond length is 2.38 Å. There are a spread of Ag–O bond distances ranging from 2.46–2.69 Å. C is bonded in a 3-coordinate geometry to two Ag and one N atom. The C–N bond length is 1.18 Å. N is bonded in a 3-coordinate geometry to two Ag and one C atom. There are ten 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–Omore » bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third 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 1.48 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to two Ag and one Cl atom. The O–Cl bond length is 1.47 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.49 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the seventh 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 1.47 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.49 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one O atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1198516
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag3CN(ClO5)2; Ag-C-Cl-N-O
OSTI Identifier:
1687617
DOI:
https://doi.org/10.17188/1687617

Citation Formats

The Materials Project. Materials Data on Ag3CN(ClO5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687617.
The Materials Project. Materials Data on Ag3CN(ClO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687617
The Materials Project. 2019. "Materials Data on Ag3CN(ClO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687617. https://www.osti.gov/servlets/purl/1687617. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687617,
title = {Materials Data on Ag3CN(ClO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3CN(O5Cl)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to one C, one N, and one O atom. The Ag–C bond length is 2.08 Å. The Ag–N bond length is 2.14 Å. The Ag–O bond length is 2.75 Å. In the second Ag site, Ag is bonded in a 2-coordinate geometry to one C and four O atoms. The Ag–C bond length is 2.23 Å. There are a spread of Ag–O bond distances ranging from 2.43–2.82 Å. In the third Ag site, Ag is bonded in a 5-coordinate geometry to one N and four O atoms. The Ag–N bond length is 2.38 Å. There are a spread of Ag–O bond distances ranging from 2.46–2.69 Å. C is bonded in a 3-coordinate geometry to two Ag and one N atom. The C–N bond length is 1.18 Å. N is bonded in a 3-coordinate geometry to two Ag and one C atom. There are ten 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 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third 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 1.48 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to two Ag and one Cl atom. The O–Cl bond length is 1.47 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.49 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the seventh 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 1.47 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Ag and one Cl atom. The O–Cl bond length is 1.49 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ag and one Cl atom. The O–Cl bond length is 1.47 Å. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Ag and one O atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.},
doi = {10.17188/1687617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}