The material structure described by Ca3Co4Sn13 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Co(1) and twelve equivalent Sn(2) atoms. Co(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1), two equivalent Co(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ca3Co4Sn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   9.639
_cell_length_c   9.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   895.618
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.500  1.0
  Ca  Ca2  1  0.750  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.000  0.250  1.0
  Ca  Ca4  1  0.000  0.750  0.500  1.0
  Ca  Ca5  1  0.250  0.500  0.000  1.0
  Co  Co6  1  0.750  0.250  0.750  1.0
  Co  Co7  1  0.250  0.750  0.250  1.0
  Co  Co8  1  0.750  0.750  0.250  1.0
  Co  Co9  1  0.250  0.250  0.750  1.0
  Co  Co10  1  0.250  0.750  0.750  1.0
  Co  Co11  1  0.750  0.250  0.250  1.0
  Co  Co12  1  0.250  0.250  0.250  1.0
  Co  Co13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
  Sn  Sn16  1  0.657  0.199  0.500  1.0
  Sn  Sn17  1  0.801  0.500  0.657  1.0
  Sn  Sn18  1  0.500  0.343  0.801  1.0
  Sn  Sn19  1  0.343  0.801  0.500  1.0
  Sn  Sn20  1  0.199  0.500  0.343  1.0
  Sn  Sn21  1  0.500  0.657  0.199  1.0
  Sn  Sn22  1  0.657  0.801  0.500  1.0
  Sn  Sn23  1  0.801  0.500  0.343  1.0
  Sn  Sn24  1  0.343  0.199  0.500  1.0
  Sn  Sn25  1  0.199  0.500  0.657  1.0
  Sn  Sn26  1  0.500  0.657  0.801  1.0
  Sn  Sn27  1  0.500  0.343  0.199  1.0
  Sn  Sn28  1  0.157  0.000  0.699  1.0
  Sn  Sn29  1  0.301  0.157  0.000  1.0
  Sn  Sn30  1  0.000  0.301  0.843  1.0
  Sn  Sn31  1  0.843  0.000  0.301  1.0
  Sn  Sn32  1  0.699  0.843  0.000  1.0
  Sn  Sn33  1  0.000  0.699  0.157  1.0
  Sn  Sn34  1  0.157  0.000  0.301  1.0
  Sn  Sn35  1  0.301  0.843  0.000  1.0
  Sn  Sn36  1  0.843  0.000  0.699  1.0
  Sn  Sn37  1  0.699  0.157  0.000  1.0
  Sn  Sn38  1  0.000  0.301  0.157  1.0
  Sn  Sn39  1  0.000  0.699  0.843  1.0
[/CIF]
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The material structure described by Ca3Co4Sn13 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Co(1) and twelve equivalent Sn(2) atoms. Co(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1), two equivalent Co(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_Ca3Co4Sn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   9.639
_cell_length_c   9.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   895.618
_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  0.500  0.000  0.750  1.0
  Ca  Ca1  1  0.000  0.250  0.500  1.0
  Ca  Ca2  1  0.750  0.500  0.000  1.0
  Ca  Ca3  1  0.500  0.000  0.250  1.0
  Ca  Ca4  1  0.000  0.750  0.500  1.0
  Ca  Ca5  1  0.250  0.500  0.000  1.0
  Co  Co6  1  0.750  0.250  0.750  1.0
  Co  Co7  1  0.250  0.750  0.250  1.0
  Co  Co8  1  0.750  0.750  0.250  1.0
  Co  Co9  1  0.250  0.250  0.750  1.0
  Co  Co10  1  0.250  0.750  0.750  1.0
  Co  Co11  1  0.750  0.250  0.250  1.0
  Co  Co12  1  0.250  0.250  0.250  1.0
  Co  Co13  1  0.750  0.750  0.750  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
  Sn  Sn16  1  0.657  0.199  0.500  1.0
  Sn  Sn17  1  0.801  0.500  0.657  1.0
  Sn  Sn18  1  0.500  0.343  0.801  1.0
  Sn  Sn19  1  0.343  0.801  0.500  1.0
  Sn  Sn20  1  0.199  0.500  0.343  1.0
  Sn  Sn21  1  0.500  0.657  0.199  1.0
  Sn  Sn22  1  0.657  0.801  0.500  1.0
  Sn  Sn23  1  0.801  0.500  0.343  1.0
  Sn  Sn24  1  0.343  0.199  0.500  1.0
  Sn  Sn25  1  0.199  0.500  0.657  1.0
  Sn  Sn26  1  0.500  0.657  0.801  1.0
  Sn  Sn27  1  0.500  0.343  0.199  1.0
  Sn  Sn28  1  0.157  0.000  0.699  1.0
  Sn  Sn29  1  0.301  0.157  0.000  1.0
  Sn  Sn30  1  0.000  0.301  0.843  1.0
  Sn  Sn31  1  0.843  0.000  0.301  1.0
  Sn  Sn32  1  0.699  0.843  0.000  1.0
  Sn  Sn33  1  0.000  0.699  0.157  1.0
  Sn  Sn34  1  0.157  0.000  0.301  1.0
  Sn  Sn35  1  0.301  0.843  0.000  1.0
  Sn  Sn36  1  0.843  0.000  0.699  1.0
  Sn  Sn37  1  0.699  0.157  0.000  1.0
  Sn  Sn38  1  0.000  0.301  0.157  1.0
  Sn  Sn39  1  0.000  0.699  0.843  1.0
[/CIF]
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