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Title: Materials Data on SiAg5ClO4 by Materials Project

Abstract

Ag5SiO4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twenty inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.38 Å) and one longer (2.42 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.15 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.57 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. Both Ag–O bond lengths are 2.18 Å. The Ag–Cl bond length is 3.34 Å. In the sixth Ag1+ site, Ag1+ is bonded in amore » 2-coordinate geometry to two O2- atoms. There are one shorter (2.21 Å) and one longer (2.27 Å) Ag–O bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- and one Cl1- atom. There are one shorter (2.15 Å) and one longer (2.16 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.39 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.30 Å) and one longer (2.38 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.75 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Ag–O bond distances ranging from 2.27–2.58 Å. The Ag–Cl bond length is 2.82 Å. In the tenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.18 Å) and one longer (2.21 Å) Ag–O bond lengths. In the eleventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) Ag–O bond lengths. There are one shorter (2.53 Å) and one longer (3.07 Å) Ag–Cl bond lengths. In the twelfth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and three Cl1- atoms. There are one shorter (2.30 Å) and one longer (2.40 Å) Ag–O bond lengths. There are a spread of Ag–Cl bond distances ranging from 2.57–3.31 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.28 Å) and one longer (2.41 Å) Ag–O bond lengths. There are one shorter (2.53 Å) and one longer (3.05 Å) Ag–Cl bond lengths. In the fourteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. Both Ag–O bond lengths are 2.15 Å. The Ag–Cl bond length is 3.11 Å. In the fifteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.13 Å) and one longer (2.15 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.30 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- and one Cl1- atom. There are two shorter (2.18 Å) and one longer (2.73 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.15 Å. In the seventeenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.38 Å) and one longer (2.41 Å) Ag–O bond lengths. There are one shorter (2.50 Å) and one longer (2.93 Å) Ag–Cl bond lengths. In the eighteenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.32 Å) and one longer (2.37 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.58 Å. In the nineteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.04 Å. In the twentieth Ag1+ site, Ag1+ is bonded to three O2- and one Cl1- atom to form distorted AgClO3 trigonal pyramids that share corners with three SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.30–2.59 Å. The Ag–Cl bond length is 2.61 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.65–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There is one shorter (1.65 Å) and three longer (1.66 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.65–1.67 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one Si4+ atom. In the fifth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the sixth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the seventh O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the ninth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the tenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the thirteenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the fifteenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three Ag1+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Ag1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to eight Ag1+ atoms.« less

Publication Date:
Other Number(s):
mp-647305
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SiAg5ClO4; Ag-Cl-O-Si
OSTI Identifier:
1280694
DOI:
https://doi.org/10.17188/1280694

Citation Formats

The Materials Project. Materials Data on SiAg5ClO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1280694.
The Materials Project. Materials Data on SiAg5ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1280694
The Materials Project. 2019. "Materials Data on SiAg5ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1280694. https://www.osti.gov/servlets/purl/1280694. Pub date:Tue Oct 22 00:00:00 EDT 2019
@article{osti_1280694,
title = {Materials Data on SiAg5ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag5SiO4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are twenty inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.38 Å) and one longer (2.42 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.15 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.57 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. Both Ag–O bond lengths are 2.18 Å. The Ag–Cl bond length is 3.34 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.21 Å) and one longer (2.27 Å) Ag–O bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- and one Cl1- atom. There are one shorter (2.15 Å) and one longer (2.16 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.39 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.30 Å) and one longer (2.38 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.75 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to three O2- and one Cl1- atom. There are a spread of Ag–O bond distances ranging from 2.27–2.58 Å. The Ag–Cl bond length is 2.82 Å. In the tenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.18 Å) and one longer (2.21 Å) Ag–O bond lengths. In the eleventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.33 Å) and one longer (2.36 Å) Ag–O bond lengths. There are one shorter (2.53 Å) and one longer (3.07 Å) Ag–Cl bond lengths. In the twelfth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and three Cl1- atoms. There are one shorter (2.30 Å) and one longer (2.40 Å) Ag–O bond lengths. There are a spread of Ag–Cl bond distances ranging from 2.57–3.31 Å. In the thirteenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.28 Å) and one longer (2.41 Å) Ag–O bond lengths. There are one shorter (2.53 Å) and one longer (3.05 Å) Ag–Cl bond lengths. In the fourteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. Both Ag–O bond lengths are 2.15 Å. The Ag–Cl bond length is 3.11 Å. In the fifteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.13 Å) and one longer (2.15 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.30 Å. In the sixteenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- and one Cl1- atom. There are two shorter (2.18 Å) and one longer (2.73 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.15 Å. In the seventeenth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two O2- and two Cl1- atoms. There are one shorter (2.38 Å) and one longer (2.41 Å) Ag–O bond lengths. There are one shorter (2.50 Å) and one longer (2.93 Å) Ag–Cl bond lengths. In the eighteenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two O2- and one Cl1- atom. There are one shorter (2.32 Å) and one longer (2.37 Å) Ag–O bond lengths. The Ag–Cl bond length is 2.58 Å. In the nineteenth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- and one Cl1- atom. There are one shorter (2.16 Å) and one longer (2.17 Å) Ag–O bond lengths. The Ag–Cl bond length is 3.04 Å. In the twentieth Ag1+ site, Ag1+ is bonded to three O2- and one Cl1- atom to form distorted AgClO3 trigonal pyramids that share corners with three SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.30–2.59 Å. The Ag–Cl bond length is 2.61 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.65–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgClO3 trigonal pyramid. There is one shorter (1.65 Å) and three longer (1.66 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.65–1.67 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one Si4+ atom. In the fifth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the sixth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the seventh O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the ninth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the tenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. In the twelfth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the thirteenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the fifteenth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one Si4+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three Ag1+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Ag1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to eight Ag1+ atoms.},
doi = {10.17188/1280694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}