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Title: Materials Data on AgHPbC2SN2O by Materials Project

Abstract

AgPbC2N2HSO crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded to one C3+ and three equivalent S2- atoms to form distorted corner-sharing AgCS3 tetrahedra. The Ag–C bond length is 2.11 Å. There are two shorter (2.62 Å) and one longer (2.86 Å) Ag–S bond lengths. Pb2+ is bonded in a 6-coordinate geometry to three N3- and three equivalent O2- atoms. There are one shorter (2.65 Å) and two longer (3.01 Å) Pb–N bond lengths. There are one shorter (2.44 Å) and two longer (2.45 Å) Pb–O bond lengths. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C3+ site, C3+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to onemore » Pb2+ and one C3+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S2- is bonded to three equivalent Ag1+ and one C3+ atom to form corner-sharing SAg3C tetrahedra. O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1195948
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; AgHPbC2SN2O; Ag-C-H-N-O-Pb-S
OSTI Identifier:
1684473
DOI:
https://doi.org/10.17188/1684473

Citation Formats

The Materials Project. Materials Data on AgHPbC2SN2O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684473.
The Materials Project. Materials Data on AgHPbC2SN2O by Materials Project. United States. doi:https://doi.org/10.17188/1684473
The Materials Project. 2019. "Materials Data on AgHPbC2SN2O by Materials Project". United States. doi:https://doi.org/10.17188/1684473. https://www.osti.gov/servlets/purl/1684473. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684473,
title = {Materials Data on AgHPbC2SN2O by Materials Project},
author = {The Materials Project},
abstractNote = {AgPbC2N2HSO crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded to one C3+ and three equivalent S2- atoms to form distorted corner-sharing AgCS3 tetrahedra. The Ag–C bond length is 2.11 Å. There are two shorter (2.62 Å) and one longer (2.86 Å) Ag–S bond lengths. Pb2+ is bonded in a 6-coordinate geometry to three N3- and three equivalent O2- atoms. There are one shorter (2.65 Å) and two longer (3.01 Å) Pb–N bond lengths. There are one shorter (2.44 Å) and two longer (2.45 Å) Pb–O bond lengths. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C3+ site, C3+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Pb2+ and one C3+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S2- is bonded to three equivalent Ag1+ and one C3+ atom to form corner-sharing SAg3C tetrahedra. O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one H1+ atom.},
doi = {10.17188/1684473},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}