The structure described by Sr(CaSi3)2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to two equivalent Si(3) and four equivalent Si(1) atoms to form distorted SrSi6 octahedra that share edges with two equivalent Sr(1)Si6 octahedra and edges with four equivalent Ca(1)Si6 octahedra. Ca(1) is bonded to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms to form distorted CaSi6 octahedra that share edges with two equivalent Sr(1)Si6 octahedra and edges with four equivalent Ca(1)Si6 octahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Ca(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1), one Si(2), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Ca(1), one Si(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Sr(CaSi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   6.417
_cell_length_c   8.333
_cell_angle_alpha   87.187
_cell_angle_beta   87.187
_cell_angle_gamma   36.033
_symmetry_Int_Tables_number   1
_cell_volume   201.576
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.169  0.169  0.665  1.0
  Ca  Ca2  1  0.831  0.831  0.335  1.0
  Si  Si3  1  0.918  0.918  0.742  1.0
  Si  Si4  1  0.586  0.586  0.423  1.0
  Si  Si5  1  0.247  0.247  0.085  1.0
  Si  Si6  1  0.414  0.414  0.577  1.0
  Si  Si7  1  0.082  0.082  0.258  1.0
  Si  Si8  1  0.753  0.753  0.915  1.0
[/CIF]
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The structure described by Sr(CaSi3)2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to two equivalent Si(3) and four equivalent Si(1) atoms to form distorted SrSi6 octahedra that share edges with two equivalent Sr(1)Si6 octahedra and edges with four equivalent Ca(1)Si6 octahedra. Ca(1) is bonded to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms to form distorted CaSi6 octahedra that share edges with two equivalent Sr(1)Si6 octahedra and edges with four equivalent Ca(1)Si6 octahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), one Ca(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1), one Si(2), and two equivalent Si(1) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Ca(1), one Si(1), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Sr(CaSi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   6.417
_cell_length_c   8.333
_cell_angle_alpha   87.187
_cell_angle_beta   87.187
_cell_angle_gamma   36.033
_symmetry_Int_Tables_number   1
_cell_volume   201.576
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.169  0.169  0.665  1.0
  Ca  Ca2  1  0.831  0.831  0.335  1.0
  Si  Si3  1  0.918  0.918  0.742  1.0
  Si  Si4  1  0.586  0.586  0.423  1.0
  Si  Si5  1  0.247  0.247  0.085  1.0
  Si  Si6  1  0.414  0.414  0.577  1.0
  Si  Si7  1  0.082  0.082  0.258  1.0
  Si  Si8  1  0.753  0.753  0.915  1.0
[/CIF]
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