The crystal structure described by Cd3SiO5 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. Si(1) is bonded to four equivalent O(2) atoms to form SiO4 tetrahedra that share corners with eight equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Cd(1) and four equivalent Cd(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cd(1), two equivalent Cd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Cd3SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   6.837
_cell_length_c   6.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.400
_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
  Cd  Cd0  1  0.966  0.750  0.750  1.0
  Cd  Cd1  1  0.034  0.250  0.250  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.000  0.000  1.0
  Cd  Cd4  1  0.500  0.500  0.500  1.0
  Cd  Cd5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.750  0.250  1.0
  Si  Si7  1  0.000  0.250  0.750  1.0
  O  O8  1  0.395  0.750  0.750  1.0
  O  O9  1  0.605  0.250  0.250  1.0
  O  O10  1  0.801  0.061  0.750  1.0
  O  O11  1  0.801  0.439  0.750  1.0
  O  O12  1  0.801  0.750  0.439  1.0
  O  O13  1  0.801  0.750  0.061  1.0
  O  O14  1  0.199  0.250  0.561  1.0
  O  O15  1  0.199  0.939  0.250  1.0
  O  O16  1  0.199  0.250  0.939  1.0
  O  O17  1  0.199  0.561  0.250  1.0
[/CIF]
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The crystal structure described by Cd3SiO5 crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. In the second Cd site, Cd(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(2)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with four equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. Si(1) is bonded to four equivalent O(2) atoms to form SiO4 tetrahedra that share corners with eight equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Cd(1) and four equivalent Cd(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cd(1), two equivalent Cd(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_Cd3SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   6.837
_cell_length_c   6.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.400
_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
  Cd  Cd0  1  0.966  0.750  0.750  1.0
  Cd  Cd1  1  0.034  0.250  0.250  1.0
  Cd  Cd2  1  0.500  0.000  0.500  1.0
  Cd  Cd3  1  0.500  0.000  0.000  1.0
  Cd  Cd4  1  0.500  0.500  0.500  1.0
  Cd  Cd5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.750  0.250  1.0
  Si  Si7  1  0.000  0.250  0.750  1.0
  O  O8  1  0.395  0.750  0.750  1.0
  O  O9  1  0.605  0.250  0.250  1.0
  O  O10  1  0.801  0.061  0.750  1.0
  O  O11  1  0.801  0.439  0.750  1.0
  O  O12  1  0.801  0.750  0.439  1.0
  O  O13  1  0.801  0.750  0.061  1.0
  O  O14  1  0.199  0.250  0.561  1.0
  O  O15  1  0.199  0.939  0.250  1.0
  O  O16  1  0.199  0.250  0.939  1.0
  O  O17  1  0.199  0.561  0.250  1.0
[/CIF]
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