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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr5(AuO4)2 by Materials Project

Sr5(AuO4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.55 Å) and four longer (2.84 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.67 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.06 Å. O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Au3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AuO2)2 by Materials Project

SrAu2O4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.63 Å) and four longer (2.68 Å) Sr–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Sr2+ and two equivalent Au3+ atoms to form a mixture of corner and edge-sharing OSr2Au2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAuO2 by Materials Project

SrAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–36°. There are four shorter (2.60 Å) and two longer (2.62 Å) Sr–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Au2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sr2+ and two Au2+ atoms.

36 MATERIALS SCIENCE↗