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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sn4As3 by Materials Project

Sn4As3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4As3 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 in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.79 Å. In the second Sn+2.25+ site, Sn+2.25+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.89 Å) and three longer (3.08 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second As3- site, As3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnAs by Materials Project

SnAs 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 As3- atoms to form a mixture of corner and edge-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Sn3+ atoms to form a mixture of corner and edge-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3As4 by Materials Project

Sn3As4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sn4+ is bonded to four equivalent As3- atoms to form corner-sharing SnAs4 tetrahedra. All Sn–As bond lengths are 2.69 Å. As3- is bonded in a trigonal non-coplanar geometry to three equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnAs3 by Materials Project

SnAs(As)2 is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 0, 1) direction and two SnAs sheets oriented in the (0, 0, 1) direction. In each As sheet, As+1.33- is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All As–As bond lengths are 2.80 Å. In each SnAs sheet, Sn4+ is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All Sn–As bond lengths are 2.80 Å. As+1.33- is bonded in a square co-planar geometry to four equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnAs3 by Materials Project

SnAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn4+ is bonded in a body-centered cubic geometry to eight equivalent As+1.33- atoms. All Sn–As bond lengths are 3.01 Å. There are two inequivalent As+1.33- sites. In the first As+1.33- site, As+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Sn4+ and four equivalent As+1.33- atoms. All As–As bond lengths are 3.01 Å. In the second As+1.33- site, As+1.33- is bonded in a body-centered cubic geometry to eight equivalent As+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3As by Materials Project

Sn3As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sn is bonded to eight equivalent Sn and four equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing SnSn8As4 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.22–3.39 Å. There are two shorter (3.26 Å) and two longer (3.37 Å) Sn–As bond lengths. As is bonded in a distorted hexagonal planar geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗