The crystal structure described by CaSi2(AgO)8 crystallizes in the tetragonal P-4 space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a bent 150 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ag(1), one Ag(2), and one Si(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CaSi2(AgO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   7.562
_cell_length_c   7.562
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.684
_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
  Ca  Ca0  1  0.750  0.750  0.750  1.0
  Si  Si1  1  0.750  0.250  0.250  1.0
  Si  Si2  1  0.250  0.750  0.750  1.0
  Ag  Ag3  1  0.266  0.119  0.494  1.0
  Ag  Ag4  1  0.888  0.609  0.128  1.0
  Ag  Ag5  1  0.888  0.891  0.372  1.0
  Ag  Ag6  1  0.612  0.372  0.609  1.0
  Ag  Ag7  1  0.612  0.128  0.891  1.0
  Ag  Ag8  1  0.234  0.494  0.381  1.0
  Ag  Ag9  1  0.266  0.381  0.006  1.0
  Ag  Ag10  1  0.234  0.006  0.119  1.0
  O  O11  1  0.428  0.581  0.791  1.0
  O  O12  1  0.912  0.276  0.433  1.0
  O  O13  1  0.072  0.791  0.919  1.0
  O  O14  1  0.588  0.433  0.224  1.0
  O  O15  1  0.912  0.224  0.067  1.0
  O  O16  1  0.428  0.919  0.709  1.0
  O  O17  1  0.072  0.709  0.581  1.0
  O  O18  1  0.588  0.067  0.276  1.0
[/CIF]
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The crystal structure described by CaSi2(AgO)8 crystallizes in the tetragonal P-4 space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the second Ag site, Ag(2) is bonded in a bent 150 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Si site, Si(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ag(1), one Ag(2), and one Si(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ag(2), two equivalent Ag(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CaSi2(AgO)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   7.562
_cell_length_c   7.562
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.684
_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
  Ca  Ca0  1  0.750  0.750  0.750  1.0
  Si  Si1  1  0.750  0.250  0.250  1.0
  Si  Si2  1  0.250  0.750  0.750  1.0
  Ag  Ag3  1  0.266  0.119  0.494  1.0
  Ag  Ag4  1  0.888  0.609  0.128  1.0
  Ag  Ag5  1  0.888  0.891  0.372  1.0
  Ag  Ag6  1  0.612  0.372  0.609  1.0
  Ag  Ag7  1  0.612  0.128  0.891  1.0
  Ag  Ag8  1  0.234  0.494  0.381  1.0
  Ag  Ag9  1  0.266  0.381  0.006  1.0
  Ag  Ag10  1  0.234  0.006  0.119  1.0
  O  O11  1  0.428  0.581  0.791  1.0
  O  O12  1  0.912  0.276  0.433  1.0
  O  O13  1  0.072  0.791  0.919  1.0
  O  O14  1  0.588  0.433  0.224  1.0
  O  O15  1  0.912  0.224  0.067  1.0
  O  O16  1  0.428  0.919  0.709  1.0
  O  O17  1  0.072  0.709  0.581  1.0
  O  O18  1  0.588  0.067  0.276  1.0
[/CIF]
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