The structure described by BaCaSi crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Ca(1) is bonded to four equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing CaSi4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ba(1) and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_BaCaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   8.589
_cell_length_c   9.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.106
_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  0.027  0.824  1.0
  Ba  Ba1  1  0.750  0.973  0.176  1.0
  Ba  Ba2  1  0.250  0.527  0.676  1.0
  Ba  Ba3  1  0.750  0.473  0.324  1.0
  Ca  Ca4  1  0.750  0.359  0.926  1.0
  Ca  Ca5  1  0.250  0.641  0.074  1.0
  Ca  Ca6  1  0.750  0.859  0.574  1.0
  Ca  Ca7  1  0.250  0.141  0.426  1.0
  Si  Si8  1  0.250  0.782  0.392  1.0
  Si  Si9  1  0.750  0.218  0.608  1.0
  Si  Si10  1  0.250  0.282  0.108  1.0
  Si  Si11  1  0.750  0.718  0.892  1.0
[/CIF]
.
The structure described by BaCaSi crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Ca(1) is bonded to four equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing CaSi4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ba(1) and four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_BaCaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   8.589
_cell_length_c   9.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.106
_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  0.027  0.824  1.0
  Ba  Ba1  1  0.750  0.973  0.176  1.0
  Ba  Ba2  1  0.250  0.527  0.676  1.0
  Ba  Ba3  1  0.750  0.473  0.324  1.0
  Ca  Ca4  1  0.750  0.359  0.926  1.0
  Ca  Ca5  1  0.250  0.641  0.074  1.0
  Ca  Ca6  1  0.750  0.859  0.574  1.0
  Ca  Ca7  1  0.250  0.141  0.426  1.0
  Si  Si8  1  0.250  0.782  0.392  1.0
  Si  Si9  1  0.750  0.218  0.608  1.0
  Si  Si10  1  0.250  0.282  0.108  1.0
  Si  Si11  1  0.750  0.718  0.892  1.0
[/CIF]
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