The compound 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(2), and two equivalent Mn(1) atoms to form CsMg10Mn2 cuboctahedra that share corners with four equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCs2Mg8Mn2 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with four equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Cs(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(4), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Mn(1) is bonded to two equivalent Cs(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MnCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Cs(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.357
_cell_length_b   6.775
_cell_length_c   6.775
_cell_angle_alpha   119.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.921
_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  0.500  0.666  0.334  1.0
  Mg  Mg1  1  0.500  0.672  0.835  1.0
  Mg  Mg2  1  0.500  0.165  0.328  1.0
  Mg  Mg3  1  0.000  0.859  0.700  1.0
  Mg  Mg4  1  0.000  0.300  0.141  1.0
  Mg  Mg5  1  0.000  0.329  0.671  1.0
  Mg  Mg6  1  0.000  0.849  0.151  1.0
  Mn  Mn7  1  0.500  0.160  0.840  1.0
[/CIF]
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The compound 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(2), and two equivalent Mn(1) atoms to form CsMg10Mn2 cuboctahedra that share corners with four equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Mn(1) atoms to form distorted MgCs2Mg8Mn2 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with four equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Cs(1)Mg10Mn2 cuboctahedra, edges with two equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Mn(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(4), two equivalent Mg(1), two equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Mn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Mn(1) is bonded to two equivalent Cs(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form MnCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Mn2 cuboctahedra, corners with six equivalent Mn(1)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, edges with two equivalent Cs(1)Mg10Mn2 cuboctahedra, edges with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra, faces with two equivalent Cs(1)Mg10Mn2 cuboctahedra, faces with two equivalent Mn(1)Cs2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Cs2Mg8Mn2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.357
_cell_length_b   6.775
_cell_length_c   6.775
_cell_angle_alpha   119.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.921
_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  0.500  0.666  0.334  1.0
  Mg  Mg1  1  0.500  0.672  0.835  1.0
  Mg  Mg2  1  0.500  0.165  0.328  1.0
  Mg  Mg3  1  0.000  0.859  0.700  1.0
  Mg  Mg4  1  0.000  0.300  0.141  1.0
  Mg  Mg5  1  0.000  0.329  0.671  1.0
  Mg  Mg6  1  0.000  0.849  0.151  1.0
  Mn  Mn7  1  0.500  0.160  0.840  1.0
[/CIF]
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