The material described by SrCa(SnO3)4 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.740
_cell_length_c   8.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.425
_symmetry_Int_Tables_number   1
_cell_volume   267.505
_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
  Sr  Sr0  1  0.025  0.975  0.500  1.0
  Ca  Ca1  1  0.474  0.526  0.000  1.0
  Sn  Sn2  1  0.511  0.013  0.245  1.0
  Sn  Sn3  1  0.511  0.013  0.755  1.0
  Sn  Sn4  1  0.987  0.489  0.755  1.0
  Sn  Sn5  1  0.987  0.489  0.245  1.0
  O  O6  1  0.208  0.205  0.262  1.0
  O  O7  1  0.795  0.792  0.262  1.0
  O  O8  1  0.795  0.792  0.738  1.0
  O  O9  1  0.208  0.205  0.738  1.0
  O  O10  1  0.274  0.726  0.276  1.0
  O  O11  1  0.691  0.309  0.192  1.0
  O  O12  1  0.691  0.309  0.808  1.0
  O  O13  1  0.274  0.726  0.724  1.0
  O  O14  1  0.482  0.926  0.000  1.0
  O  O15  1  0.552  0.033  0.500  1.0
  O  O16  1  0.074  0.518  0.000  1.0
  O  O17  1  0.967  0.448  0.500  1.0
[/CIF]
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The material described by SrCa(SnO3)4 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 14-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Ca(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.740
_cell_length_c   8.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.425
_symmetry_Int_Tables_number   1
_cell_volume   267.505
_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
  Sr  Sr0  1  0.025  0.975  0.500  1.0
  Ca  Ca1  1  0.474  0.526  0.000  1.0
  Sn  Sn2  1  0.511  0.013  0.245  1.0
  Sn  Sn3  1  0.511  0.013  0.755  1.0
  Sn  Sn4  1  0.987  0.489  0.755  1.0
  Sn  Sn5  1  0.987  0.489  0.245  1.0
  O  O6  1  0.208  0.205  0.262  1.0
  O  O7  1  0.795  0.792  0.262  1.0
  O  O8  1  0.795  0.792  0.738  1.0
  O  O9  1  0.208  0.205  0.738  1.0
  O  O10  1  0.274  0.726  0.276  1.0
  O  O11  1  0.691  0.309  0.192  1.0
  O  O12  1  0.691  0.309  0.808  1.0
  O  O13  1  0.274  0.726  0.724  1.0
  O  O14  1  0.482  0.926  0.000  1.0
  O  O15  1  0.552  0.033  0.500  1.0
  O  O16  1  0.074  0.518  0.000  1.0
  O  O17  1  0.967  0.448  0.500  1.0
[/CIF]
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