The structure described by SrCa3Si4 crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(4), and four equivalent Si(1) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Si(4), two equivalent Si(3), and four equivalent Si(2) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Ca(1), four equivalent Ca(2), and two equivalent Si(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), one Ca(1), four equivalent Ca(3), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Ca(2), two equivalent Ca(3), and two equivalent Si(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(2), four equivalent Ca(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   4.616
_cell_length_c   10.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.398
_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  0.000  0.500  0.141  1.0
  Ca  Ca1  1  0.000  0.000  0.639  1.0
  Ca  Ca2  1  0.500  0.000  0.369  1.0
  Ca  Ca3  1  0.500  0.500  0.859  1.0
  Si  Si4  1  0.000  0.500  0.438  1.0
  Si  Si5  1  0.000  0.000  0.925  1.0
  Si  Si6  1  0.500  0.000  0.058  1.0
  Si  Si7  1  0.500  0.500  0.571  1.0
[/CIF]
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The structure described by SrCa3Si4 crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(2), and four equivalent Si(3) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(4), and four equivalent Si(1) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Si(4), two equivalent Si(3), and four equivalent Si(2) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sr(1), two equivalent Ca(1), four equivalent Ca(2), and two equivalent Si(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Sr(1), one Ca(1), four equivalent Ca(3), and two equivalent Si(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Ca(2), two equivalent Ca(3), and two equivalent Si(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(2), four equivalent Ca(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   4.616
_cell_length_c   10.904
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.398
_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  0.000  0.500  0.141  1.0
  Ca  Ca1  1  0.000  0.000  0.639  1.0
  Ca  Ca2  1  0.500  0.000  0.369  1.0
  Ca  Ca3  1  0.500  0.500  0.859  1.0
  Si  Si4  1  0.000  0.500  0.438  1.0
  Si  Si5  1  0.000  0.000  0.925  1.0
  Si  Si6  1  0.500  0.000  0.058  1.0
  Si  Si7  1  0.500  0.500  0.571  1.0
[/CIF]
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