The structure described by CsMg6Mn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form a mixture of corner and face-sharing CsMg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Mg(2), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Mg(2) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_CsMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.081
_symmetry_Int_Tables_number   1
_cell_volume   220.294
_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
  Cs  Cs0  1  0.332  0.668  0.500  1.0
  Mg  Mg1  1  0.156  0.289  0.000  1.0
  Mg  Mg2  1  0.711  0.844  0.000  1.0
  Mg  Mg3  1  0.665  0.335  0.000  1.0
  Mg  Mg4  1  0.316  0.147  0.500  1.0
  Mg  Mg5  1  0.853  0.684  0.500  1.0
  Mg  Mg6  1  0.834  0.166  0.500  1.0
  Mn  Mn7  1  0.133  0.867  0.000  1.0
[/CIF]
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The structure described by CsMg6Mn crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms to form a mixture of corner and face-sharing CsMg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Mg(2), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1) and two equivalent Mg(2) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_CsMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.081
_symmetry_Int_Tables_number   1
_cell_volume   220.294
_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
  Cs  Cs0  1  0.332  0.668  0.500  1.0
  Mg  Mg1  1  0.156  0.289  0.000  1.0
  Mg  Mg2  1  0.711  0.844  0.000  1.0
  Mg  Mg3  1  0.665  0.335  0.000  1.0
  Mg  Mg4  1  0.316  0.147  0.500  1.0
  Mg  Mg5  1  0.853  0.684  0.500  1.0
  Mg  Mg6  1  0.834  0.166  0.500  1.0
  Mn  Mn7  1  0.133  0.867  0.000  1.0
[/CIF]
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