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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sn4P3NO12 by Materials Project

Sn4P3NO12 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.09–2.13 Å. In the second Sn3+ site, Sn3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sn–O bond lengths are 2.11 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. N3- is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.95 Å) and three longer (3.12 Å) N–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+, one P5+, and one N3- atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sn3+, one P5+, and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3P2(NO5)2 by Materials Project

Sn3P2O9N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of four hydroxylamine, o-amino- molecules and two Sn3P2O9 sheets oriented in the (0, 1, 0) direction. In each Sn3P2O9 sheet, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form distorted SnO4 trigonal pyramids that share corners with three PO4 tetrahedra and edges with two equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.21–2.38 Å. In the second Sn4+ site, Sn4+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with four PO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, an edgeedge with one SnO5 trigonal bipyramid, and an edgeedge with one SnO4 trigonal pyramid. There are a spread of Sn–O bond distances ranging from 2.04–2.36 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and a cornercorner with one SnO4 trigonal pyramid. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO5 trigonal bipyramids and corners with two equivalent SnO4 trigonal pyramids. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sn4+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnPNO4 by Materials Project

SnPNO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn4+ is bonded to one N1- and four O2- atoms to form SnNO4 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. The Sn–N bond length is 2.48 Å. There are a spread of Sn–O bond distances ranging from 2.05–2.12 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnNO4 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. N1- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one N1- atom. The N–N bond length is 1.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnP2(NO3)2 by Materials Project

SnP2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.19–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 3.11–3.16 Å. In the second N1- site, N1- is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of N–O bond distances ranging from 2.92–3.28 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ and two N1- atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+, one P5+, and one N1- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ and three N1- atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+, one P5+, and one N1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn6P3NO14 by Materials Project

Sn6P3NO14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.12–2.19 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.14 Å. In the third Sn+2.67+ site, Sn+2.67+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. N3- is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of N–O bond distances ranging from 3.04–3.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn+2.67+, one P5+, and one N3- atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Sn+2.67+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sn+2.67+, one P5+, and one N3- atom.

36 MATERIALS SCIENCE↗