The material structure described by BaCa(SnO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with twelve equivalent Sn(1)O4 trigonal pyramids. Sn(1) is bonded to one O(2) and three equivalent O(1) atoms to form SnO4 trigonal pyramids that share corners with three equivalent Ca(1)O6 octahedra and corners with four equivalent Sn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ca(1), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OBaCaSn2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCa(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   7.063
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.526
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Sn  Sn2  1  0.333  0.667  0.714  1.0
  Sn  Sn3  1  0.667  0.333  0.714  1.0
  Sn  Sn4  1  0.333  0.667  0.286  1.0
  Sn  Sn5  1  0.667  0.333  0.286  1.0
  O  O6  1  0.305  0.305  0.708  1.0
  O  O7  1  0.695  0.000  0.708  1.0
  O  O8  1  0.000  0.695  0.708  1.0
  O  O9  1  0.695  0.695  0.292  1.0
  O  O10  1  0.000  0.305  0.292  1.0
  O  O11  1  0.305  0.000  0.292  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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The material structure described by BaCa(SnO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with twelve equivalent Sn(1)O4 trigonal pyramids. Sn(1) is bonded to one O(2) and three equivalent O(1) atoms to form SnO4 trigonal pyramids that share corners with three equivalent Ca(1)O6 octahedra and corners with four equivalent Sn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ca(1), and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OBaCaSn2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCa(SnO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.126
_cell_length_b   6.126
_cell_length_c   7.063
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.526
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  Sn  Sn2  1  0.333  0.667  0.714  1.0
  Sn  Sn3  1  0.667  0.333  0.714  1.0
  Sn  Sn4  1  0.333  0.667  0.286  1.0
  Sn  Sn5  1  0.667  0.333  0.286  1.0
  O  O6  1  0.305  0.305  0.708  1.0
  O  O7  1  0.695  0.000  0.708  1.0
  O  O8  1  0.000  0.695  0.708  1.0
  O  O9  1  0.695  0.695  0.292  1.0
  O  O10  1  0.000  0.305  0.292  1.0
  O  O11  1  0.305  0.000  0.292  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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