The compound described by CsNaTiO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Na(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.456
_cell_length_b   6.456
_cell_length_c   5.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.869
_symmetry_Int_Tables_number   1
_cell_volume   196.288
_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
  Cs  Cs0  1  0.732  0.268  0.750  1.0
  Cs  Cs1  1  0.268  0.732  0.250  1.0
  Na  Na2  1  0.574  0.426  0.250  1.0
  Na  Na3  1  0.426  0.574  0.750  1.0
  Ti  Ti4  1  0.951  0.049  0.250  1.0
  Ti  Ti5  1  0.049  0.951  0.750  1.0
  O  O6  1  0.796  0.204  0.250  1.0
  O  O7  1  0.211  0.211  0.000  1.0
  O  O8  1  0.789  0.789  0.500  1.0
  O  O9  1  0.211  0.211  0.500  1.0
  O  O10  1  0.789  0.789  0.000  1.0
  O  O11  1  0.204  0.796  0.750  1.0
[/CIF]
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The compound described by CsNaTiO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Na(1), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.456
_cell_length_b   6.456
_cell_length_c   5.671
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.869
_symmetry_Int_Tables_number   1
_cell_volume   196.288
_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
  Cs  Cs0  1  0.732  0.268  0.750  1.0
  Cs  Cs1  1  0.268  0.732  0.250  1.0
  Na  Na2  1  0.574  0.426  0.250  1.0
  Na  Na3  1  0.426  0.574  0.750  1.0
  Ti  Ti4  1  0.951  0.049  0.250  1.0
  Ti  Ti5  1  0.049  0.951  0.750  1.0
  O  O6  1  0.796  0.204  0.250  1.0
  O  O7  1  0.211  0.211  0.000  1.0
  O  O8  1  0.789  0.789  0.500  1.0
  O  O9  1  0.211  0.211  0.500  1.0
  O  O10  1  0.789  0.789  0.000  1.0
  O  O11  1  0.204  0.796  0.750  1.0
[/CIF]
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