The material structure described by BaCaSn crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Ca(1) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing CaSn4 tetrahedra. Sn(1) is bonded in a 9-coordinate geometry to five equivalent Ba(1) and four equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_BaCaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   8.926
_cell_length_c   9.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.320
_cell_formula_units_Z   4
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  0.250  0.022  0.819  1.0
  Ba  Ba1  1  0.750  0.978  0.181  1.0
  Ba  Ba2  1  0.250  0.522  0.681  1.0
  Ba  Ba3  1  0.750  0.478  0.319  1.0
  Ca  Ca4  1  0.750  0.857  0.572  1.0
  Ca  Ca5  1  0.250  0.643  0.072  1.0
  Ca  Ca6  1  0.750  0.357  0.928  1.0
  Ca  Ca7  1  0.250  0.143  0.428  1.0
  Sn  Sn8  1  0.250  0.277  0.108  1.0
  Sn  Sn9  1  0.750  0.223  0.608  1.0
  Sn  Sn10  1  0.250  0.777  0.392  1.0
  Sn  Sn11  1  0.750  0.723  0.892  1.0
[/CIF]
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The material structure described by BaCaSn crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent Sn(1) atoms. Ca(1) is bonded to four equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing CaSn4 tetrahedra. Sn(1) is bonded in a 9-coordinate geometry to five equivalent Ba(1) and four equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_BaCaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   8.926
_cell_length_c   9.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.320
_cell_formula_units_Z   4
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  0.250  0.022  0.819  1.0
  Ba  Ba1  1  0.750  0.978  0.181  1.0
  Ba  Ba2  1  0.250  0.522  0.681  1.0
  Ba  Ba3  1  0.750  0.478  0.319  1.0
  Ca  Ca4  1  0.750  0.857  0.572  1.0
  Ca  Ca5  1  0.250  0.643  0.072  1.0
  Ca  Ca6  1  0.750  0.357  0.928  1.0
  Ca  Ca7  1  0.250  0.143  0.428  1.0
  Sn  Sn8  1  0.250  0.277  0.108  1.0
  Sn  Sn9  1  0.750  0.223  0.608  1.0
  Sn  Sn10  1  0.250  0.777  0.392  1.0
  Sn  Sn11  1  0.750  0.723  0.892  1.0
[/CIF]
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