The material structure described by Sr2Au3In4 crystallizes in the hexagonal P-62m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 13-coordinate geometry to one Au(3), four equivalent Au(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. In the third Sr site, Sr(3) is bonded in a 16-coordinate geometry to two equivalent Au(3), four equivalent Au(2), two equivalent In(2), two equivalent In(3), two equivalent In(4), and four equivalent In(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(3) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent In(1), and four equivalent In(3) atoms. In the second Au site, Au(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one In(2), two equivalent In(1), and two equivalent In(3) atoms. In the third Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Sr(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(3), one Au(2), one Au(3), and two equivalent Au(1) atoms. In the second In site, In(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), two equivalent Au(1), and two equivalent Au(2) atoms to form a mixture of distorted edge and corner-sharing InSr4Au4 tetrahedra. In the third In site, In(3) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Au(1), and two equivalent Au(3) atoms. In the fourth In site, In(4) is bonded in a distorted trigonal planar geometry to six equivalent Sr(3) and three equivalent Au(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2In4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.068
_cell_length_b   15.067
_cell_length_c   4.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   907.562
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.451  0.000  1.000  1.0
  Sr  Sr1  1  1.000  0.451  1.000  1.0
  Sr  Sr2  1  0.549  0.549  1.000  1.0
  Sr  Sr3  1  0.333  0.667  1.000  1.0
  Sr  Sr4  1  0.667  0.333  1.000  1.0
  Sr  Sr5  1  0.820  1.000  0.500  1.0
  Sr  Sr6  1  0.000  0.820  0.500  1.0
  Sr  Sr7  1  0.180  0.180  0.500  1.0
  In  In8  1  0.184  0.383  1.000  1.0
  In  In9  1  0.617  0.801  1.000  1.0
  In  In10  1  0.383  0.184  1.000  1.0
  In  In11  1  0.199  0.816  1.000  1.0
  In  In12  1  0.801  0.617  1.000  1.0
  In  In13  1  0.816  0.199  1.000  1.0
  In  In14  1  0.279  0.000  0.500  1.0
  In  In15  1  1.000  0.279  0.500  1.0
  In  In16  1  0.721  0.721  0.500  1.0
  In  In17  1  0.350  0.474  0.500  1.0
  In  In18  1  0.526  0.877  0.500  1.0
  In  In19  1  0.474  0.350  0.500  1.0
  In  In20  1  0.123  0.650  0.500  1.0
  In  In21  1  0.877  0.526  0.500  1.0
  In  In22  1  0.650  0.123  0.500  1.0
  In  In23  1  0.000  1.000  1.000  1.0
  Au  Au24  1  0.171  0.490  0.500  1.0
  Au  Au25  1  0.510  0.681  0.500  1.0
  Au  Au26  1  0.490  0.171  0.500  1.0
  Au  Au27  1  0.319  0.829  0.500  1.0
  Au  Au28  1  0.681  0.510  0.500  1.0
  Au  Au29  1  0.829  0.319  0.500  1.0
  Au  Au30  1  0.180  0.000  1.000  1.0
  Au  Au31  1  0.000  0.180  1.000  1.0
  Au  Au32  1  0.820  0.820  1.000  1.0
  Au  Au33  1  0.656  1.000  1.000  1.0
  Au  Au34  1  0.000  0.657  0.000  1.0
  Au  Au35  1  0.344  0.343  1.000  1.0
[/CIF]
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The material structure described by Sr2Au3In4 crystallizes in the hexagonal P-62m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 13-coordinate geometry to one Au(3), four equivalent Au(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to six equivalent Au(1) atoms. In the third Sr site, Sr(3) is bonded in a 16-coordinate geometry to two equivalent Au(3), four equivalent Au(2), two equivalent In(2), two equivalent In(3), two equivalent In(4), and four equivalent In(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(3) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent In(1), and four equivalent In(3) atoms. In the second Au site, Au(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one In(2), two equivalent In(1), and two equivalent In(3) atoms. In the third Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Sr(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(3), one Au(2), one Au(3), and two equivalent Au(1) atoms. In the second In site, In(2) is bonded to two equivalent Sr(1), two equivalent Sr(3), two equivalent Au(1), and two equivalent Au(2) atoms to form a mixture of distorted edge and corner-sharing InSr4Au4 tetrahedra. In the third In site, In(3) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(1), two equivalent Au(1), and two equivalent Au(3) atoms. In the fourth In site, In(4) is bonded in a distorted trigonal planar geometry to six equivalent Sr(3) and three equivalent Au(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2In4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.068
_cell_length_b   15.067
_cell_length_c   4.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   907.562
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.451  0.000  1.000  1.0
  Sr  Sr1  1  1.000  0.451  1.000  1.0
  Sr  Sr2  1  0.549  0.549  1.000  1.0
  Sr  Sr3  1  0.333  0.667  1.000  1.0
  Sr  Sr4  1  0.667  0.333  1.000  1.0
  Sr  Sr5  1  0.820  1.000  0.500  1.0
  Sr  Sr6  1  0.000  0.820  0.500  1.0
  Sr  Sr7  1  0.180  0.180  0.500  1.0
  In  In8  1  0.184  0.383  1.000  1.0
  In  In9  1  0.617  0.801  1.000  1.0
  In  In10  1  0.383  0.184  1.000  1.0
  In  In11  1  0.199  0.816  1.000  1.0
  In  In12  1  0.801  0.617  1.000  1.0
  In  In13  1  0.816  0.199  1.000  1.0
  In  In14  1  0.279  0.000  0.500  1.0
  In  In15  1  1.000  0.279  0.500  1.0
  In  In16  1  0.721  0.721  0.500  1.0
  In  In17  1  0.350  0.474  0.500  1.0
  In  In18  1  0.526  0.877  0.500  1.0
  In  In19  1  0.474  0.350  0.500  1.0
  In  In20  1  0.123  0.650  0.500  1.0
  In  In21  1  0.877  0.526  0.500  1.0
  In  In22  1  0.650  0.123  0.500  1.0
  In  In23  1  0.000  1.000  1.000  1.0
  Au  Au24  1  0.171  0.490  0.500  1.0
  Au  Au25  1  0.510  0.681  0.500  1.0
  Au  Au26  1  0.490  0.171  0.500  1.0
  Au  Au27  1  0.319  0.829  0.500  1.0
  Au  Au28  1  0.681  0.510  0.500  1.0
  Au  Au29  1  0.829  0.319  0.500  1.0
  Au  Au30  1  0.180  0.000  1.000  1.0
  Au  Au31  1  0.000  0.180  1.000  1.0
  Au  Au32  1  0.820  0.820  1.000  1.0
  Au  Au33  1  0.656  1.000  1.000  1.0
  Au  Au34  1  0.000  0.657  0.000  1.0
  Au  Au35  1  0.344  0.343  1.000  1.0
[/CIF]
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