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Materials Data on LaAu by Materials Project

AuLa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of La–Au bond distances ranging from 3.20–3.26 Å. Au is bonded in a 7-coordinate geometry to seven equivalent La atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaAu3 by Materials Project

LaAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Au1- atoms to form a mixture of distorted face and corner-sharing LaAu12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.32 Å) La–Au bond lengths. Au1- is bonded in a 4-coordinate geometry to four equivalent La3+ and six equivalent Au1- atoms. There are four shorter (2.98 Å) and two longer (3.05 Å) Au–Au bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on LaAu by Materials Project

AuLa is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of La–Au bond distances ranging from 3.17–3.25 Å. Au is bonded in a 7-coordinate geometry to seven equivalent La atoms.

36 MATERIALS SCIENCE↗

Materials Data on La14Au51 by Materials Project

Au51La14 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 11-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of La–Au bond distances ranging from 3.17–3.44 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of La–Au bond distances ranging from 3.17–3.42 Å. In the third La3+ site, La3+ is bonded in a 2-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of La–Au bond distances ranging from 3.18–3.72 Å. In the fourth La3+ site, La3+ is bonded in a 1-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of La–Au bond distances ranging from 3.00–3.44 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to fifteen Au+0.82- atoms. There are a spread of La–Au bond distances ranging from 3.20–3.45 Å. There are thirteen inequivalent Au+0.82- sites. In the first Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four La3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.86–3.16 Å. In the second Au+0.82- site, Au+0.82- is bonded to four La3+ and eight Au+0.82- atoms to form a mixture of distorted face and edge-sharing AuLa4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.83–2.97 Å. In the third Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four La3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.85–3.15 Å. In the fourth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four La3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.88–3.12 Å. In the fifth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four La3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.88–3.15 Å. In the sixth Au+0.82- site, Au+0.82- is bonded in a 10-coordinate geometry to three equivalent La3+ and seven Au+0.82- atoms. There are one shorter (2.87 Å) and three longer (2.98 Å) Au–Au bond lengths. In the seventh Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent La3+ and seven Au+0.82- atoms. There are one shorter (2.88 Å) and three longer (2.98 Å) Au–Au bond lengths. In the eighth Au+0.82- site, Au+0.82- is bonded to four La3+ and eight Au+0.82- atoms to form a mixture of distorted face and edge-sharing AuLa4Au8 cuboctahedra. Both Au–Au bond lengths are 2.89 Å. In the ninth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent La3+ and eight Au+0.82- atoms. In the tenth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to three equivalent La3+ and eight Au+0.82- atoms. In the eleventh Au+0.82- site, Au+0.82- is bonded in a 4-coordinate geometry to four La3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.22 Å. In the twelfth Au+0.82- site, Au+0.82- is bonded in a 1-coordinate geometry to four La3+ and six Au+0.82- atoms. Both Au–Au bond lengths are 2.87 Å. In the thirteenth Au+0.82- site, Au+0.82- is bonded in a 4-coordinate geometry to four La3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.18 Å.

36 MATERIALS SCIENCE↗

Materials Data on LaAu2 by Materials Project

LaAu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. There are a spread of La–Au bond distances ranging from 3.30–3.46 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent La2+ and four equivalent Au1- atoms. There are three shorter (2.79 Å) and one longer (3.12 Å) Au–Au bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on La2Au by Materials Project

La2Au is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to four equivalent Au atoms to form a mixture of distorted corner and edge-sharing LaAu4 tetrahedra. There are a spread of La–Au bond distances ranging from 3.08–3.22 Å. In the second La site, La is bonded in a 3-coordinate geometry to five equivalent Au atoms. There are a spread of La–Au bond distances ranging from 3.25–3.79 Å. Au is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗