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Title: Materials Data on K2S2NO7 by Materials Project

Abstract

K2NS2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.36 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.72–3.35 Å. N is bonded in a trigonal planar geometry to two S and one O atom. There is one shorter (1.85 Å) and one longer (1.86 Å) N–S bond length. The N–O bond length is 1.26 Å. There are two inequivalent S sites. In the first S site, S is bonded to one N and three O atoms to form corner-sharing SNO3 tetrahedra. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. In the second S site, S is bonded to one N and three O atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.47 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bondmore » geometry to two equivalent K and one S atom. In the second O site, O is bonded in a single-bond geometry to three K and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three K and one S atom.« less

Publication Date:
Other Number(s):
mp-555388
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; K2S2NO7; K-N-O-S
OSTI Identifier:
1268777
DOI:
10.17188/1268777

Citation Formats

The Materials Project. Materials Data on K2S2NO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268777.
The Materials Project. Materials Data on K2S2NO7 by Materials Project. United States. doi:10.17188/1268777.
The Materials Project. 2020. "Materials Data on K2S2NO7 by Materials Project". United States. doi:10.17188/1268777. https://www.osti.gov/servlets/purl/1268777. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268777,
title = {Materials Data on K2S2NO7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NS2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.36 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.72–3.35 Å. N is bonded in a trigonal planar geometry to two S and one O atom. There is one shorter (1.85 Å) and one longer (1.86 Å) N–S bond length. The N–O bond length is 1.26 Å. There are two inequivalent S sites. In the first S site, S is bonded to one N and three O atoms to form corner-sharing SNO3 tetrahedra. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. In the second S site, S is bonded to one N and three O atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.47 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the second O site, O is bonded in a single-bond geometry to three K and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three K and one S atom.},
doi = {10.17188/1268777},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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