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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2S2NO7 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SN2O5 by Materials Project

K2N2SO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.19 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.30 Å. In the second N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 1.80 Å. The N–O bond length is 1.31 Å. S2- is bonded in a distorted tetrahedral geometry to one N5+ and three O2- atoms. All S–O bond lengths are 1.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent K1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SN2O5 by Materials Project

K2N2SO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.94–3.21 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 1.79 Å. The N–O bond length is 1.31 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.30 Å. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3S3NO11 by Materials Project

(K3S3O11)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one K3S3O11 framework. In the K3S3O11 framework, there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.05 Å. In the second 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 2.68–3.44 Å. In the third 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 2.87–3.11 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.46 Å. In the second S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.44 Å) and two longer (1.47 Å) S–O bond length. In the third S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three K1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSNO3 by Materials Project

KNSO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to two equivalent N1- and six O2- atoms. Both K–N bond lengths are 3.14 Å. There are a spread of K–O bond distances ranging from 2.77–3.05 Å. N1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. The N–S bond length is 1.64 Å. S6+ is bonded in a tetrahedral geometry to one N1- and three O2- atoms. All S–O bond lengths are 1.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2S2NO6 by Materials Project

K2NS2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.31 Å. N2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. Both N–S bond lengths are 1.68 Å. S6+ is bonded to one N2- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.

36 MATERIALS SCIENCE↗