The compound described by MgMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to two equivalent Sn(1) and six equivalent Sn(2) atoms to form edge-sharing MgSn8 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mg(MnSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   5.446
_cell_length_c   8.994
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   230.982
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.249  1.0
  Mn  Mn2  1  0.500  0.000  0.751  1.0
  Mn  Mn3  1  0.000  0.500  0.249  1.0
  Mn  Mn4  1  0.000  0.500  0.751  1.0
  Mn  Mn5  1  0.500  0.500  0.249  1.0
  Mn  Mn6  1  0.500  0.500  0.751  1.0
  Sn  Sn7  1  0.000  0.000  0.326  1.0
  Sn  Sn8  1  0.000  0.000  0.674  1.0
  Sn  Sn9  1  0.333  0.667  0.000  1.0
  Sn  Sn10  1  0.667  0.333  0.000  1.0
  Sn  Sn11  1  0.333  0.667  0.500  1.0
  Sn  Sn12  1  0.667  0.333  0.500  1.0
[/CIF]
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The compound described by MgMn6Sn6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to two equivalent Sn(1) and six equivalent Sn(2) atoms to form edge-sharing MgSn8 hexagonal bipyramids. Mn(1) is bonded in a 6-coordinate geometry to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent Mn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mn(1) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mg(MnSn)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.446
_cell_length_b   5.446
_cell_length_c   8.994
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   230.982
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.249  1.0
  Mn  Mn2  1  0.500  0.000  0.751  1.0
  Mn  Mn3  1  0.000  0.500  0.249  1.0
  Mn  Mn4  1  0.000  0.500  0.751  1.0
  Mn  Mn5  1  0.500  0.500  0.249  1.0
  Mn  Mn6  1  0.500  0.500  0.751  1.0
  Sn  Sn7  1  0.000  0.000  0.326  1.0
  Sn  Sn8  1  0.000  0.000  0.674  1.0
  Sn  Sn9  1  0.333  0.667  0.000  1.0
  Sn  Sn10  1  0.667  0.333  0.000  1.0
  Sn  Sn11  1  0.333  0.667  0.500  1.0
  Sn  Sn12  1  0.667  0.333  0.500  1.0
[/CIF]
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