The material structure described by Sr5(AuO4)2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Au(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr5Au octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF file [CIF]
data_Sr5(AuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.539
_cell_length_b   6.734
_cell_length_c   6.734
_cell_angle_alpha   76.366
_cell_angle_beta   60.955
_cell_angle_gamma   60.954
_symmetry_Int_Tables_number   1
_cell_volume   226.639
_cell_formula_units_Z   1
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  0.527  0.500  0.945  1.0
  Sr  Sr1  1  0.973  0.500  0.055  1.0
  Sr  Sr2  1  0.973  0.055  0.500  1.0
  Sr  Sr3  1  0.527  0.945  0.500  1.0
  Sr  Sr4  1  0.250  0.500  0.500  1.0
  Au  Au5  1  0.500  0.000  0.000  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.756  0.756  0.756  1.0
  O  O8  1  0.268  0.244  0.244  1.0
  O  O9  1  0.488  0.756  0.244  1.0
  O  O10  1  0.488  0.244  0.756  1.0
  O  O11  1  0.012  0.244  0.756  1.0
  O  O12  1  0.012  0.756  0.244  1.0
  O  O13  1  0.744  0.244  0.244  1.0
  O  O14  1  0.232  0.756  0.756  1.0
[/CIF]
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The material structure described by Sr5(AuO4)2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Au(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr5Au octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF file [CIF]
data_Sr5(AuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.539
_cell_length_b   6.734
_cell_length_c   6.734
_cell_angle_alpha   76.366
_cell_angle_beta   60.955
_cell_angle_gamma   60.954
_symmetry_Int_Tables_number   1
_cell_volume   226.639
_cell_formula_units_Z   1
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  0.527  0.500  0.945  1.0
  Sr  Sr1  1  0.973  0.500  0.055  1.0
  Sr  Sr2  1  0.973  0.055  0.500  1.0
  Sr  Sr3  1  0.527  0.945  0.500  1.0
  Sr  Sr4  1  0.250  0.500  0.500  1.0
  Au  Au5  1  0.500  0.000  0.000  1.0
  Au  Au6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.756  0.756  0.756  1.0
  O  O8  1  0.268  0.244  0.244  1.0
  O  O9  1  0.488  0.756  0.244  1.0
  O  O10  1  0.488  0.244  0.756  1.0
  O  O11  1  0.012  0.244  0.756  1.0
  O  O12  1  0.012  0.756  0.244  1.0
  O  O13  1  0.744  0.244  0.244  1.0
  O  O14  1  0.232  0.756  0.756  1.0
[/CIF]
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