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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrAu5 by Materials Project

Au5Sr crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted hexagonal planar geometry to eighteen Au+0.40- atoms. There are six shorter (3.31 Å) and twelve longer (3.70 Å) Sr–Au bond lengths. There are two inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a 3-coordinate geometry to three equivalent Sr2+ and six equivalent Au+0.40- atoms. All Au–Au bond lengths are 2.86 Å. In the second Au+0.40- site, Au+0.40- is bonded to four equivalent Sr2+ and eight Au+0.40- atoms to form a mixture of corner, edge, and face-sharing AuSr4Au8 cuboctahedra. All Au–Au bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAu by Materials Project

SrAu crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are ten inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.34 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.35 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.32 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.35 Å. In the fifth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.33 Å. In the sixth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.35 Å. In the seventh Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.32 Å. In the eighth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.34 Å. In the ninth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.37 Å. In the tenth Sr site, Sr is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.32 Å. There are ten inequivalent Au sites. In the first Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. Both Au–Au bond lengths are 3.02 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. Both Au–Au bond lengths are 3.02 Å. In the third Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. Both Au–Au bond lengths are 3.01 Å. In the fourth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. Both Au–Au bond lengths are 3.02 Å. In the fifth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. In the sixth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. In the seventh Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. In the eighth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. In the ninth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms. Both Au–Au bond lengths are 3.02 Å. In the tenth Au site, Au is bonded in a 7-coordinate geometry to seven Sr and two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Au2 by Materials Project

Sr3Au2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five equivalent Au atoms. There are a spread of Sr–Au bond distances ranging from 3.23–3.71 Å. In the second Sr site, Sr is bonded in an octahedral geometry to six equivalent Au atoms. All Sr–Au bond lengths are 3.34 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are three shorter (3.23 Å) and three longer (3.37 Å) Sr–Au bond lengths. Au is bonded in a 9-coordinate geometry to eight Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr7Au3 by Materials Project

Sr7Au3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Sr–Au bond lengths are 3.20 Å. In the second Sr site, Sr is bonded in a distorted L-shaped geometry to two equivalent Au atoms. Both Sr–Au bond lengths are 3.25 Å. In the third Sr site, Sr is bonded in a distorted T-shaped geometry to three equivalent Au atoms. There are one shorter (3.25 Å) and two longer (3.27 Å) Sr–Au bond lengths. Au is bonded in a 6-coordinate geometry to six Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAu2 by Materials Project

SrAu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.47 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent Sr2+ and four equivalent Au1- atoms. There are three shorter (2.81 Å) and one longer (3.20 Å) Au–Au bond lengths.

36 MATERIALS SCIENCE↗