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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrAs by Materials Project

SrAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are two shorter (3.21 Å) and four longer (3.26 Å) Sr–As bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are four shorter (3.16 Å) and two longer (3.20 Å) Sr–As bond lengths. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 7-coordinate geometry to six Sr2+ and one As2- atom. The As–As bond length is 2.54 Å. In the second As2- site, As2- is bonded in a 7-coordinate geometry to six Sr2+ and one As2- atom. The As–As bond length is 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3As4 by Materials Project

Sr3As4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight As+1.50- atoms. There are a spread of Sr–As bond distances ranging from 3.19–3.35 Å. In the second Sr2+ site, Sr2+ is bonded to eight As+1.50- atoms to form a mixture of distorted edge and corner-sharing SrAs8 hexagonal bipyramids. There are a spread of Sr–As bond distances ranging from 3.18–3.33 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two As+1.50- atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) As–As bond lengths. In the second As+1.50- site, As+1.50- is bonded in a 7-coordinate geometry to six Sr2+ and one As+1.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2As by Materials Project

Sr2As crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (3.14 Å) and four longer (3.53 Å) Sr–As bond lengths. In the second Sr site, Sr is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Sr–As bond lengths are 3.32 Å. As is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5As3 by Materials Project

Sr5As3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted T-shaped geometry to three equivalent As atoms. There are two shorter (3.11 Å) and one longer (3.20 Å) Sr–As bond lengths. In the second Sr site, Sr is bonded to six equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing SrAs6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Sr–As bond lengths are 3.34 Å. As is bonded in a 7-coordinate geometry to seven Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAs3 by Materials Project

SrAs3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine As+0.67- atoms. There are a spread of Sr–As bond distances ranging from 3.15–3.54 Å. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two As+0.67- atoms. There are one shorter (2.48 Å) and one longer (2.51 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a distorted tetrahedral geometry to one Sr2+ and three As+0.67- atoms. The As–As bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3As2 by Materials Project

Sr3AsAs is alpha Rhenium trioxide-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one arsenic molecule and one Sr3As framework. In the Sr3As framework, Sr2+ is bonded in a linear geometry to two equivalent As3- atoms. Both Sr–As bond lengths are 2.90 Å. As3- is bonded to six equivalent Sr2+ atoms to form corner-sharing AsSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAs3 by Materials Project

SrAs3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded to eight As+0.67- atoms to form distorted SrAs8 hexagonal bipyramids that share corners with six equivalent SrAs8 hexagonal bipyramids, corners with five equivalent AsSr4As2 pentagonal pyramids, corners with six equivalent AsSrAs3 tetrahedra, edges with four equivalent SrAs8 hexagonal bipyramids, an edgeedge with one AsSrAs3 tetrahedra, and a faceface with one SrAs8 hexagonal bipyramid. There are a spread of Sr–As bond distances ranging from 3.15–3.53 Å. There are three inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded to one Sr2+ and three As+0.67- atoms to form distorted AsSrAs3 tetrahedra that share corners with six equivalent SrAs8 hexagonal bipyramids, corners with six equivalent AsSr4As2 pentagonal pyramids, and an edgeedge with one SrAs8 hexagonal bipyramid. There are two shorter (2.48 Å) and one longer (2.52 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded to four equivalent Sr2+ and two As+0.67- atoms to form distorted AsSr4As2 pentagonal pyramids that share corners with five equivalent SrAs8 hexagonal bipyramids, corners with four equivalent AsSr4As2 pentagonal pyramids, corners with six equivalent AsSrAs3 tetrahedra, and edges with four equivalent AsSr4As2 pentagonal pyramids. The As–As bond length is 2.51 Å. In the third As+0.67- site, As+0.67- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two As+0.67- atoms. The As–As bond length is 2.50 Å.

36 MATERIALS SCIENCE↗