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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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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sn4P3 by Materials Project

Sn4P3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4P3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn+2.25+ sites. In the first Sn+2.25+ site, Sn+2.25+ is bonded to six P3- atoms to form a mixture of corner and edge-sharing SnP6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.79 Å) and three longer (2.99 Å) Sn–P bond lengths. In the second Sn+2.25+ site, Sn+2.25+ is bonded in a distorted T-shaped geometry to three equivalent P3- atoms. All Sn–P bond lengths are 2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of corner and edge-sharing PSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second P3- site, P3- is bonded to six Sn+2.25+ atoms to form a mixture of corner and edge-sharing PSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnP by Materials Project

SnP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing SnP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–P bond lengths are 2.80 Å. P3- is bonded to six equivalent Sn3+ atoms to form a mixture of edge and corner-sharing PSn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3P4 by Materials Project

Sn3P4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Sn3P4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with four equivalent PSn3P tetrahedra. There are two shorter (2.65 Å) and two longer (2.70 Å) Sn–P bond lengths. In the second Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.80 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three Sn4+ and one P3- atom to form distorted corner-sharing PSn3P tetrahedra. The P–P bond length is 2.18 Å. In the second P3- site, P3- is bonded to three equivalent Sn4+ and one P3- atom to form PSn3P tetrahedra that share corners with two equivalent SnP4 tetrahedra and corners with nine PSn3P tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnP by Materials Project

SnP is Halite, Rock Salt structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sn3+ is bonded to five equivalent P3- atoms to form a mixture of corner and edge-sharing SnP5 square pyramids. There are one shorter (2.64 Å) and four longer (2.76 Å) Sn–P bond lengths. P3- is bonded to five equivalent Sn3+ atoms to form a mixture of corner and edge-sharing PSn5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnP3 by Materials Project

SnP3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sn2+ is bonded to six equivalent P+0.67- atoms to form distorted corner-sharing SnP6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are three shorter (2.72 Å) and three longer (2.97 Å) Sn–P bond lengths. P+0.67- is bonded in a rectangular see-saw-like geometry to two equivalent Sn2+ and two equivalent P+0.67- atoms. Both P–P bond lengths are 2.23 Å.

36 MATERIALS SCIENCE↗