The material described by CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Ir(1) and eight equivalent Ge(1) atoms. La(1) is bonded in a 16-coordinate geometry to eight equivalent Ir(1) and eight equivalent Ge(2) atoms. Ir(1) is bonded to two equivalent Ca(1), two equivalent La(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Ir(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent La(1), four equivalent Ir(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_CaLa(GeIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.217
_cell_length_b   4.217
_cell_length_c   10.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.647
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.123  1.0
  Ge  Ge3  1  0.000  0.000  0.627  1.0
  Ge  Ge4  1  0.000  0.000  0.373  1.0
  Ge  Ge5  1  0.500  0.500  0.877  1.0
  Ir  Ir6  1  0.000  0.500  0.250  1.0
  Ir  Ir7  1  0.500  0.000  0.750  1.0
  Ir  Ir8  1  0.500  0.000  0.250  1.0
  Ir  Ir9  1  0.000  0.500  0.750  1.0
[/CIF]
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The material described by CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Ir(1) and eight equivalent Ge(1) atoms. La(1) is bonded in a 16-coordinate geometry to eight equivalent Ir(1) and eight equivalent Ge(2) atoms. Ir(1) is bonded to two equivalent Ca(1), two equivalent La(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), four equivalent Ir(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent La(1), four equivalent Ir(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_CaLa(GeIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.217
_cell_length_b   4.217
_cell_length_c   10.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.647
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.123  1.0
  Ge  Ge3  1  0.000  0.000  0.627  1.0
  Ge  Ge4  1  0.000  0.000  0.373  1.0
  Ge  Ge5  1  0.500  0.500  0.877  1.0
  Ir  Ir6  1  0.000  0.500  0.250  1.0
  Ir  Ir7  1  0.500  0.000  0.750  1.0
  Ir  Ir8  1  0.500  0.000  0.250  1.0
  Ir  Ir9  1  0.000  0.500  0.750  1.0
[/CIF]
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