The compound described by Sr2CaSn5 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. Ca(1) is bonded in a 9-coordinate geometry to one Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), two equivalent Ca(1), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), two equivalent Ca(1), one Sn(3), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Ca(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CaSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.821
_cell_length_c   10.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.223
_symmetry_Int_Tables_number   1
_cell_volume   489.187
_cell_formula_units_Z   2
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  0.297  0.703  1.000  1.0
  Sr  Sr1  1  0.297  0.703  0.500  1.0
  Sr  Sr2  1  0.703  0.297  1.000  1.0
  Sr  Sr3  1  0.703  0.297  0.500  1.0
  Ca  Ca4  1  0.850  0.850  0.250  1.0
  Ca  Ca5  1  0.150  0.150  0.750  1.0
  Sn  Sn6  1  0.183  0.183  0.050  1.0
  Sn  Sn7  1  0.817  0.817  0.950  1.0
  Sn  Sn8  1  0.183  0.183  0.450  1.0
  Sn  Sn9  1  0.817  0.817  0.550  1.0
  Sn  Sn10  1  0.411  0.013  0.250  1.0
  Sn  Sn11  1  0.987  0.589  0.750  1.0
  Sn  Sn12  1  0.589  0.987  0.750  1.0
  Sn  Sn13  1  0.013  0.411  0.250  1.0
  Sn  Sn14  1  0.460  0.460  0.250  1.0
  Sn  Sn15  1  0.540  0.540  0.750  1.0
[/CIF]
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The compound described by Sr2CaSn5 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. Ca(1) is bonded in a 9-coordinate geometry to one Sn(3), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to four equivalent Sr(1), two equivalent Ca(1), one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), two equivalent Ca(1), one Sn(3), and two equivalent Sn(1) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Ca(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CaSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.821
_cell_length_c   10.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.223
_symmetry_Int_Tables_number   1
_cell_volume   489.187
_cell_formula_units_Z   2
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  0.297  0.703  1.000  1.0
  Sr  Sr1  1  0.297  0.703  0.500  1.0
  Sr  Sr2  1  0.703  0.297  1.000  1.0
  Sr  Sr3  1  0.703  0.297  0.500  1.0
  Ca  Ca4  1  0.850  0.850  0.250  1.0
  Ca  Ca5  1  0.150  0.150  0.750  1.0
  Sn  Sn6  1  0.183  0.183  0.050  1.0
  Sn  Sn7  1  0.817  0.817  0.950  1.0
  Sn  Sn8  1  0.183  0.183  0.450  1.0
  Sn  Sn9  1  0.817  0.817  0.550  1.0
  Sn  Sn10  1  0.411  0.013  0.250  1.0
  Sn  Sn11  1  0.987  0.589  0.750  1.0
  Sn  Sn12  1  0.589  0.987  0.750  1.0
  Sn  Sn13  1  0.013  0.411  0.250  1.0
  Sn  Sn14  1  0.460  0.460  0.250  1.0
  Sn  Sn15  1  0.540  0.540  0.750  1.0
[/CIF]
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