The material described by Mo5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted q6 geometry to eight equivalent Mo(1) and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Ge3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   7.393
_cell_length_c   7.393
_cell_angle_alpha   83.529
_cell_angle_beta   70.385
_cell_angle_gamma   70.385
_symmetry_Int_Tables_number   1
_cell_volume   240.719
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.750  0.000  0.000  1.0
  Ge  Ge1  1  0.250  0.000  0.000  1.0
  Ge  Ge2  1  0.832  0.500  0.836  1.0
  Ge  Ge3  1  0.668  0.164  0.500  1.0
  Ge  Ge4  1  0.332  0.836  0.500  1.0
  Ge  Ge5  1  0.168  0.500  0.164  1.0
  Mo  Mo6  1  0.423  0.307  0.848  1.0
  Mo  Mo7  1  0.577  0.693  0.152  1.0
  Mo  Mo8  1  0.250  0.500  0.500  1.0
  Mo  Mo9  1  0.750  0.500  0.500  1.0
  Mo  Mo10  1  0.730  0.848  0.693  1.0
  Mo  Mo11  1  0.270  0.152  0.307  1.0
  Mo  Mo12  1  0.923  0.848  0.307  1.0
  Mo  Mo13  1  0.230  0.693  0.848  1.0
  Mo  Mo14  1  0.770  0.307  0.152  1.0
  Mo  Mo15  1  0.077  0.152  0.693  1.0
[/CIF]
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The material described by Mo5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1) and four equivalent Ge(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted q6 geometry to eight equivalent Mo(1) and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Ge3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.964
_cell_length_b   7.393
_cell_length_c   7.393
_cell_angle_alpha   83.529
_cell_angle_beta   70.385
_cell_angle_gamma   70.385
_symmetry_Int_Tables_number   1
_cell_volume   240.719
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.750  0.000  0.000  1.0
  Ge  Ge1  1  0.250  0.000  0.000  1.0
  Ge  Ge2  1  0.832  0.500  0.836  1.0
  Ge  Ge3  1  0.668  0.164  0.500  1.0
  Ge  Ge4  1  0.332  0.836  0.500  1.0
  Ge  Ge5  1  0.168  0.500  0.164  1.0
  Mo  Mo6  1  0.423  0.307  0.848  1.0
  Mo  Mo7  1  0.577  0.693  0.152  1.0
  Mo  Mo8  1  0.250  0.500  0.500  1.0
  Mo  Mo9  1  0.750  0.500  0.500  1.0
  Mo  Mo10  1  0.730  0.848  0.693  1.0
  Mo  Mo11  1  0.270  0.152  0.307  1.0
  Mo  Mo12  1  0.923  0.848  0.307  1.0
  Mo  Mo13  1  0.230  0.693  0.848  1.0
  Mo  Mo14  1  0.770  0.307  0.152  1.0
  Mo  Mo15  1  0.077  0.152  0.693  1.0
[/CIF]
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