The crystal structure described by Y3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form distorted edge-sharing YGe6 octahedra. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(2), one Cu(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), and six equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Y3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   8.024
_cell_angle_alpha   149.476
_cell_angle_beta   130.915
_cell_angle_gamma   58.912
_symmetry_Int_Tables_number   1
_cell_volume   196.744
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.871  0.871  0.000  1.0
  Y  Y2  1  0.129  0.129  0.000  1.0
  Cu  Cu3  1  0.479  0.669  0.810  1.0
  Cu  Cu4  1  0.859  0.669  0.190  1.0
  Cu  Cu5  1  0.141  0.331  0.810  1.0
  Cu  Cu6  1  0.521  0.331  0.190  1.0
  Ge  Ge7  1  0.284  0.784  0.500  1.0
  Ge  Ge8  1  0.716  0.216  0.500  1.0
  Ge  Ge9  1  0.809  0.500  0.309  1.0
  Ge  Ge10  1  0.191  0.500  0.691  1.0
[/CIF]
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The crystal structure described by Y3(CuGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form distorted edge-sharing YGe6 octahedra. In the second Y site, Y(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Y(2), one Cu(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(2), and six equivalent Cu(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), two equivalent Cu(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Y3(CuGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   8.024
_cell_angle_alpha   149.476
_cell_angle_beta   130.915
_cell_angle_gamma   58.912
_symmetry_Int_Tables_number   1
_cell_volume   196.744
_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
  Y  Y0  1  0.500  0.000  0.500  1.0
  Y  Y1  1  0.871  0.871  0.000  1.0
  Y  Y2  1  0.129  0.129  0.000  1.0
  Cu  Cu3  1  0.479  0.669  0.810  1.0
  Cu  Cu4  1  0.859  0.669  0.190  1.0
  Cu  Cu5  1  0.141  0.331  0.810  1.0
  Cu  Cu6  1  0.521  0.331  0.190  1.0
  Ge  Ge7  1  0.284  0.784  0.500  1.0
  Ge  Ge8  1  0.716  0.216  0.500  1.0
  Ge  Ge9  1  0.809  0.500  0.309  1.0
  Ge  Ge10  1  0.191  0.500  0.691  1.0
[/CIF]
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