The material structure described by Ti6Ir7Ga16 crystallizes in the cubic Fm-3m space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ga(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Ga(2) atoms. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and three equivalent Ir(2) atoms. In the second Ga site, Ga(1) is bonded to one Ir(1) and three equivalent Ir(2) atoms to form a mixture of distorted edge and corner-sharing GaIr4 tetrahedra. is represented by the CIF card [CIF]
data_Ti6Ga16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   8.635
_cell_length_c   8.635
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.238
_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  0.696  0.696  0.304  1.0
  Ti  Ti1  1  0.304  0.696  0.304  1.0
  Ti  Ti2  1  0.696  0.304  0.304  1.0
  Ti  Ti3  1  0.304  0.304  0.696  1.0
  Ti  Ti4  1  0.696  0.304  0.696  1.0
  Ti  Ti5  1  0.304  0.696  0.696  1.0
  Ga  Ga6  1  0.877  0.877  0.369  1.0
  Ga  Ga7  1  0.877  0.369  0.877  1.0
  Ga  Ga8  1  0.369  0.877  0.877  1.0
  Ga  Ga9  1  0.877  0.877  0.877  1.0
  Ga  Ga10  1  0.123  0.123  0.631  1.0
  Ga  Ga11  1  0.123  0.631  0.123  1.0
  Ga  Ga12  1  0.631  0.123  0.123  1.0
  Ga  Ga13  1  0.123  0.123  0.123  1.0
  Ga  Ga14  1  0.647  0.647  0.060  1.0
  Ga  Ga15  1  0.647  0.060  0.647  1.0
  Ga  Ga16  1  0.060  0.647  0.647  1.0
  Ga  Ga17  1  0.647  0.647  0.647  1.0
  Ga  Ga18  1  0.353  0.353  0.940  1.0
  Ga  Ga19  1  0.353  0.940  0.353  1.0
  Ga  Ga20  1  0.940  0.353  0.353  1.0
  Ga  Ga21  1  0.353  0.353  0.353  1.0
  Ir  Ir22  1  0.000  0.000  0.000  1.0
  Ir  Ir23  1  0.000  0.000  0.500  1.0
  Ir  Ir24  1  0.500  0.000  0.500  1.0
  Ir  Ir25  1  0.000  0.500  0.500  1.0
  Ir  Ir26  1  0.500  0.500  0.000  1.0
  Ir  Ir27  1  0.000  0.500  0.000  1.0
  Ir  Ir28  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by Ti6Ir7Ga16 crystallizes in the cubic Fm-3m space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent Ga(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Ga(1) and four equivalent Ga(2) atoms. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 6-coordinate geometry to three equivalent Ti(1) and three equivalent Ir(2) atoms. In the second Ga site, Ga(1) is bonded to one Ir(1) and three equivalent Ir(2) atoms to form a mixture of distorted edge and corner-sharing GaIr4 tetrahedra. is represented by the CIF card [CIF]
data_Ti6Ga16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.635
_cell_length_b   8.635
_cell_length_c   8.635
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.238
_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  0.696  0.696  0.304  1.0
  Ti  Ti1  1  0.304  0.696  0.304  1.0
  Ti  Ti2  1  0.696  0.304  0.304  1.0
  Ti  Ti3  1  0.304  0.304  0.696  1.0
  Ti  Ti4  1  0.696  0.304  0.696  1.0
  Ti  Ti5  1  0.304  0.696  0.696  1.0
  Ga  Ga6  1  0.877  0.877  0.369  1.0
  Ga  Ga7  1  0.877  0.369  0.877  1.0
  Ga  Ga8  1  0.369  0.877  0.877  1.0
  Ga  Ga9  1  0.877  0.877  0.877  1.0
  Ga  Ga10  1  0.123  0.123  0.631  1.0
  Ga  Ga11  1  0.123  0.631  0.123  1.0
  Ga  Ga12  1  0.631  0.123  0.123  1.0
  Ga  Ga13  1  0.123  0.123  0.123  1.0
  Ga  Ga14  1  0.647  0.647  0.060  1.0
  Ga  Ga15  1  0.647  0.060  0.647  1.0
  Ga  Ga16  1  0.060  0.647  0.647  1.0
  Ga  Ga17  1  0.647  0.647  0.647  1.0
  Ga  Ga18  1  0.353  0.353  0.940  1.0
  Ga  Ga19  1  0.353  0.940  0.353  1.0
  Ga  Ga20  1  0.940  0.353  0.353  1.0
  Ga  Ga21  1  0.353  0.353  0.353  1.0
  Ir  Ir22  1  0.000  0.000  0.000  1.0
  Ir  Ir23  1  0.000  0.000  0.500  1.0
  Ir  Ir24  1  0.500  0.000  0.500  1.0
  Ir  Ir25  1  0.000  0.500  0.500  1.0
  Ir  Ir26  1  0.500  0.500  0.000  1.0
  Ir  Ir27  1  0.000  0.500  0.000  1.0
  Ir  Ir28  1  0.500  0.000  0.000  1.0
[/CIF]
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