The material structure described by SmMn6Ge6 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded to two equivalent Ge(3) and six equivalent Ge(1) atoms to form distorted edge-sharing SmGe8 hexagonal bipyramids. Mn(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 Sm(1) and six equivalent Mn(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sm(1), six equivalent Mn(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Sm(MnGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   8.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   191.558
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.252  1.0
  Mn  Mn2  1  0.500  0.500  0.252  1.0
  Mn  Mn3  1  1.000  0.500  0.252  1.0
  Mn  Mn4  1  0.500  0.000  0.748  1.0
  Mn  Mn5  1  0.500  0.500  0.748  1.0
  Mn  Mn6  1  1.000  0.500  0.748  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  0.347  1.0
  Ge  Ge12  1  1.000  0.000  0.653  1.0
[/CIF]
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The material structure described by SmMn6Ge6 crystallizes in the hexagonal P6/mmm space group. Sm(1) is bonded to two equivalent Ge(3) and six equivalent Ge(1) atoms to form distorted edge-sharing SmGe8 hexagonal bipyramids. Mn(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 Sm(1) and six equivalent Mn(1) atoms. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sm(1), six equivalent Mn(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Sm(MnGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   8.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   191.558
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.252  1.0
  Mn  Mn2  1  0.500  0.500  0.252  1.0
  Mn  Mn3  1  1.000  0.500  0.252  1.0
  Mn  Mn4  1  0.500  0.000  0.748  1.0
  Mn  Mn5  1  0.500  0.500  0.748  1.0
  Mn  Mn6  1  1.000  0.500  0.748  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  0.347  1.0
  Ge  Ge12  1  1.000  0.000  0.653  1.0
[/CIF]
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