The material structure described by Ca4MgSn3 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent Sn(2) and four equivalent Sn(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to eight equivalent Ca(1) and two equivalent Mg(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to eight equivalent Ca(1) and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_Ca4MgSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.256
_cell_length_b   9.256
_cell_length_c   9.256
_cell_angle_alpha   96.134
_cell_angle_beta   96.134
_cell_angle_gamma   141.839
_symmetry_Int_Tables_number   1
_cell_volume   463.085
_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
  Ca  Ca0  1  0.083  0.217  0.300  1.0
  Ca  Ca1  1  0.917  0.783  0.700  1.0
  Ca  Ca2  1  0.783  0.083  0.866  1.0
  Ca  Ca3  1  0.417  0.717  0.134  1.0
  Ca  Ca4  1  0.217  0.917  0.134  1.0
  Ca  Ca5  1  0.583  0.283  0.866  1.0
  Ca  Ca6  1  0.717  0.583  0.300  1.0
  Ca  Ca7  1  0.283  0.417  0.700  1.0
  Mg  Mg8  1  0.250  0.750  0.500  1.0
  Mg  Mg9  1  0.750  0.250  0.500  1.0
  Sn  Sn10  1  0.153  0.653  0.806  1.0
  Sn  Sn11  1  0.847  0.347  0.194  1.0
  Sn  Sn12  1  0.347  0.153  0.500  1.0
  Sn  Sn13  1  0.653  0.847  0.500  1.0
  Sn  Sn14  1  0.250  0.250  0.000  1.0
  Sn  Sn15  1  0.750  0.750  0.000  1.0
[/CIF]
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The material structure described by Ca4MgSn3 crystallizes in the tetragonal I4/mcm space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent Sn(2) and four equivalent Sn(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to eight equivalent Ca(1) and two equivalent Mg(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to eight equivalent Ca(1) and two equivalent Sn(2) atoms. is represented by the CIF file [CIF]
data_Ca4MgSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.256
_cell_length_b   9.256
_cell_length_c   9.256
_cell_angle_alpha   96.134
_cell_angle_beta   96.134
_cell_angle_gamma   141.839
_symmetry_Int_Tables_number   1
_cell_volume   463.085
_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
  Ca  Ca0  1  0.083  0.217  0.300  1.0
  Ca  Ca1  1  0.917  0.783  0.700  1.0
  Ca  Ca2  1  0.783  0.083  0.866  1.0
  Ca  Ca3  1  0.417  0.717  0.134  1.0
  Ca  Ca4  1  0.217  0.917  0.134  1.0
  Ca  Ca5  1  0.583  0.283  0.866  1.0
  Ca  Ca6  1  0.717  0.583  0.300  1.0
  Ca  Ca7  1  0.283  0.417  0.700  1.0
  Mg  Mg8  1  0.250  0.750  0.500  1.0
  Mg  Mg9  1  0.750  0.250  0.500  1.0
  Sn  Sn10  1  0.153  0.653  0.806  1.0
  Sn  Sn11  1  0.847  0.347  0.194  1.0
  Sn  Sn12  1  0.347  0.153  0.500  1.0
  Sn  Sn13  1  0.653  0.847  0.500  1.0
  Sn  Sn14  1  0.250  0.250  0.000  1.0
  Sn  Sn15  1  0.750  0.750  0.000  1.0
[/CIF]
.