The material structure described by Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and two equivalent Au(1) atoms to form a mixture of corner and edge-sharing OCa2Au2 tetrahedra. is represented by the CIF file [CIF]
data_Ca(AuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.018
_cell_length_b   6.018
_cell_length_c   6.602
_cell_angle_alpha   117.115
_cell_angle_beta   117.115
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.798
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.125  0.375  0.250  1.0
  Ca  Ca1  1  0.875  0.625  0.750  1.0
  Au  Au2  1  0.500  0.000  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  Au  Au4  1  0.000  0.000  0.500  1.0
  Au  Au5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.831  0.219  0.348  1.0
  O  O7  1  0.129  0.331  0.848  1.0
  O  O8  1  0.719  0.017  0.848  1.0
  O  O9  1  0.517  0.629  0.348  1.0
  O  O10  1  0.169  0.781  0.652  1.0
  O  O11  1  0.871  0.669  0.152  1.0
  O  O12  1  0.483  0.371  0.652  1.0
  O  O13  1  0.281  0.983  0.152  1.0
[/CIF]
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The material structure described by Ca(AuO2)2 crystallizes in the tetragonal I4_1/a space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to two equivalent Ca(1) and two equivalent Au(1) atoms to form a mixture of corner and edge-sharing OCa2Au2 tetrahedra. is represented by the CIF file [CIF]
data_Ca(AuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.018
_cell_length_b   6.018
_cell_length_c   6.602
_cell_angle_alpha   117.115
_cell_angle_beta   117.115
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.798
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.125  0.375  0.250  1.0
  Ca  Ca1  1  0.875  0.625  0.750  1.0
  Au  Au2  1  0.500  0.000  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
  Au  Au4  1  0.000  0.000  0.500  1.0
  Au  Au5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.831  0.219  0.348  1.0
  O  O7  1  0.129  0.331  0.848  1.0
  O  O8  1  0.719  0.017  0.848  1.0
  O  O9  1  0.517  0.629  0.348  1.0
  O  O10  1  0.169  0.781  0.652  1.0
  O  O11  1  0.871  0.669  0.152  1.0
  O  O12  1  0.483  0.371  0.652  1.0
  O  O13  1  0.281  0.983  0.152  1.0
[/CIF]
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