The compound described by Ti2Co3Sn2 crystallizes in the trigonal R3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Co(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to one Co(1), one Co(3), three equivalent Co(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to one Ti(1), three equivalent Ti(2), one Sn(2), and three equivalent Sn(1) atoms. In the third Co site, Co(3) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 13-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), one Co(1), three equivalent Co(2), and three equivalent Co(3) atoms. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), one Co(2), one Co(3), and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Ti2Co3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.266
_cell_angle_alpha   33.871
_cell_angle_beta   33.871
_cell_angle_gamma   33.871
_symmetry_Int_Tables_number   1
_cell_volume   106.205
_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
  Ti  Ti0  1  0.754  0.754  0.754  1.0
  Ti  Ti1  1  0.247  0.247  0.247  1.0
  Co  Co2  1  0.121  0.121  0.121  1.0
  Co  Co3  1  0.627  0.627  0.627  1.0
  Co  Co4  1  0.376  0.376  0.376  1.0
  Sn  Sn5  1  0.995  0.995  0.995  1.0
  Sn  Sn6  1  0.504  0.504  0.504  1.0
[/CIF]
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The compound described by Ti2Co3Sn2 crystallizes in the trigonal R3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to one Co(2), three equivalent Co(1), three equivalent Co(3), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to one Co(1), one Co(3), three equivalent Co(2), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(1), one Sn(1), and three equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to one Ti(1), three equivalent Ti(2), one Sn(2), and three equivalent Sn(1) atoms. In the third Co site, Co(3) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 13-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), one Co(1), three equivalent Co(2), and three equivalent Co(3) atoms. In the second Sn site, Sn(2) is bonded in a 11-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), one Co(2), one Co(3), and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Ti2Co3Sn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.266
_cell_angle_alpha   33.871
_cell_angle_beta   33.871
_cell_angle_gamma   33.871
_symmetry_Int_Tables_number   1
_cell_volume   106.205
_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
  Ti  Ti0  1  0.754  0.754  0.754  1.0
  Ti  Ti1  1  0.247  0.247  0.247  1.0
  Co  Co2  1  0.121  0.121  0.121  1.0
  Co  Co3  1  0.627  0.627  0.627  1.0
  Co  Co4  1  0.376  0.376  0.376  1.0
  Sn  Sn5  1  0.995  0.995  0.995  1.0
  Sn  Sn6  1  0.504  0.504  0.504  1.0
[/CIF]
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