DOI: 10.17188/1287237
title: Materials Data on K5H3S4N2O15 by Materials Project

description: K5N2H3S4O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are fifteen inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.97 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.35 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.10 Å. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.06 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.03 Å. In the seventh K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.19 Å. In the eighth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.32 Å. In the ninth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.06 Å. In the tenth K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.70–2.92 Å. In the eleventh K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–2.96 Å. In the twelfth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.33 Å. In the thirteenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.42 Å. In the fourteenth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.13 Å. In the fifteenth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.20 Å. There are six inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.42 Å. In the second N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.42 Å. In the third N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.42 Å. In the fourth N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.41 Å. In the fifth N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.41 Å. In the sixth N3+ site, N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.42 Å. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.24 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.17 Å) and one longer (1.28 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.24 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are twelve inequivalent S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. In the third S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the fourth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the fifth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. In the sixth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the seventh S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the eighth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the ninth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the tenth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the eleventh S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. In the twelfth S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. There are forty-five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+, one N3+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two K1+, one N3+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to two K1+, one N3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+, one N3+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two K1+, one N3+, and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one N3+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S4+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the twenty-second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the twenty-third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S4+ atom. In the twenty-seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the twenty-eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S4+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the thirty-first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the thirty-fifth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the thirty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the fortieth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S4+ atom. In the forty-first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one S4+ atom. In the forty-second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S4+ atom. In the forty-third O2- site, O2- is bonded in a distorted water-like geometry to two K1+ and two H1+ atoms. In the forty-fourth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the forty-fifth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms.