The material structure described by Cs2Al2Sb2O7 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. Sb(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Cs(1), one Al(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Al2Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   5.788
_cell_length_c   9.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   264.531
_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
  Cs  Cs0  1  0.333  0.667  0.597  1.0
  Cs  Cs1  1  0.667  0.333  0.403  1.0
  Al  Al2  1  0.000  0.000  0.189  1.0
  Al  Al3  1  0.000  0.000  0.811  1.0
  Sb  Sb4  1  0.333  0.667  0.147  1.0
  Sb  Sb5  1  0.667  0.333  0.853  1.0
  O  O6  1  0.333  0.166  0.737  1.0
  O  O7  1  0.166  0.834  0.263  1.0
  O  O8  1  0.834  0.166  0.737  1.0
  O  O9  1  0.667  0.834  0.263  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.166  0.333  0.263  1.0
  O  O12  1  0.834  0.667  0.737  1.0
[/CIF]
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The material structure described by Cs2Al2Sb2O7 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing AlO4 tetrahedra. Sb(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Cs(1), one Al(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Al2Sb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   5.788
_cell_length_c   9.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   264.531
_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
  Cs  Cs0  1  0.333  0.667  0.597  1.0
  Cs  Cs1  1  0.667  0.333  0.403  1.0
  Al  Al2  1  0.000  0.000  0.189  1.0
  Al  Al3  1  0.000  0.000  0.811  1.0
  Sb  Sb4  1  0.333  0.667  0.147  1.0
  Sb  Sb5  1  0.667  0.333  0.853  1.0
  O  O6  1  0.333  0.166  0.737  1.0
  O  O7  1  0.166  0.834  0.263  1.0
  O  O8  1  0.834  0.166  0.737  1.0
  O  O9  1  0.667  0.834  0.263  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.166  0.333  0.263  1.0
  O  O12  1  0.834  0.667  0.737  1.0
[/CIF]
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