The structure described by YCr6Ge6 crystallizes in the hexagonal P6/mmm space group. Y(1) is bonded to two equivalent Ge(3) and six equivalent Ge(1) atoms to form distorted edge-sharing YGe8 hexagonal bipyramids. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Cr(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Cr(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Y(1), six equivalent Cr(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(CrGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.114
_cell_length_b   5.114
_cell_length_c   8.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   188.535
_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  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.251  1.0
  Cr  Cr2  1  0.500  0.500  0.251  1.0
  Cr  Cr3  1  1.000  0.500  0.251  1.0
  Cr  Cr4  1  0.500  0.000  0.749  1.0
  Cr  Cr5  1  0.500  0.500  0.749  1.0
  Cr  Cr6  1  1.000  0.500  0.749  1.0
  Ge  Ge7  1  0.333  0.667  0.000  1.0
  Ge  Ge8  1  0.667  0.333  0.000  1.0
  Ge  Ge9  1  0.333  0.667  0.500  1.0
  Ge  Ge10  1  0.667  0.333  0.500  1.0
  Ge  Ge11  1  1.000  0.000  0.346  1.0
  Ge  Ge12  1  1.000  0.000  0.654  1.0
[/CIF]
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The structure described by YCr6Ge6 crystallizes in the hexagonal P6/mmm space group. Y(1) is bonded to two equivalent Ge(3) and six equivalent Ge(1) atoms to form distorted edge-sharing YGe8 hexagonal bipyramids. Cr(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Cr(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Cr(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Y(1), six equivalent Cr(1), and one Ge(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(CrGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.114
_cell_length_b   5.114
_cell_length_c   8.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   188.535
_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  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.251  1.0
  Cr  Cr2  1  0.500  0.500  0.251  1.0
  Cr  Cr3  1  1.000  0.500  0.251  1.0
  Cr  Cr4  1  0.500  0.000  0.749  1.0
  Cr  Cr5  1  0.500  0.500  0.749  1.0
  Cr  Cr6  1  1.000  0.500  0.749  1.0
  Ge  Ge7  1  0.333  0.667  0.000  1.0
  Ge  Ge8  1  0.667  0.333  0.000  1.0
  Ge  Ge9  1  0.333  0.667  0.500  1.0
  Ge  Ge10  1  0.667  0.333  0.500  1.0
  Ge  Ge11  1  1.000  0.000  0.346  1.0
  Ge  Ge12  1  1.000  0.000  0.654  1.0
[/CIF]
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