The material structure described by SrCaSi crystallizes in the orthorhombic Pnma space group. Sr(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 corner and edge-sharing CaSi4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Sr(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.934
_cell_length_b   8.104
_cell_length_c   9.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.696
_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
  Sr  Sr0  1  0.250  0.522  0.821  1.0
  Sr  Sr1  1  0.250  0.022  0.679  1.0
  Sr  Sr2  1  0.750  0.978  0.321  1.0
  Sr  Sr3  1  0.750  0.478  0.179  1.0
  Ca  Ca4  1  0.750  0.353  0.574  1.0
  Ca  Ca5  1  0.250  0.147  0.074  1.0
  Ca  Ca6  1  0.750  0.853  0.926  1.0
  Ca  Ca7  1  0.250  0.647  0.426  1.0
  Si  Si8  1  0.250  0.768  0.106  1.0
  Si  Si9  1  0.250  0.268  0.394  1.0
  Si  Si10  1  0.750  0.232  0.894  1.0
  Si  Si11  1  0.750  0.732  0.606  1.0
[/CIF]
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The material structure described by SrCaSi crystallizes in the orthorhombic Pnma space group. Sr(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 corner and edge-sharing CaSi4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to five equivalent Sr(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.934
_cell_length_b   8.104
_cell_length_c   9.122
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.696
_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
  Sr  Sr0  1  0.250  0.522  0.821  1.0
  Sr  Sr1  1  0.250  0.022  0.679  1.0
  Sr  Sr2  1  0.750  0.978  0.321  1.0
  Sr  Sr3  1  0.750  0.478  0.179  1.0
  Ca  Ca4  1  0.750  0.353  0.574  1.0
  Ca  Ca5  1  0.250  0.147  0.074  1.0
  Ca  Ca6  1  0.750  0.853  0.926  1.0
  Ca  Ca7  1  0.250  0.647  0.426  1.0
  Si  Si8  1  0.250  0.768  0.106  1.0
  Si  Si9  1  0.250  0.268  0.394  1.0
  Si  Si10  1  0.750  0.232  0.894  1.0
  Si  Si11  1  0.750  0.732  0.606  1.0
[/CIF]
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