The material described by BaMg6Mn crystallizes in the orthorhombic Amm2 space group. Ba(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 face and corner-sharing BaMg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), two 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 Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   6.846
_cell_length_c   6.846
_cell_angle_alpha   119.754
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.335
_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
  Ba  Ba0  1  0.500  0.330  0.670  1.0
  Mg  Mg1  1  1.000  0.706  0.848  1.0
  Mg  Mg2  1  0.000  0.152  0.294  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.849  0.686  1.0
  Mg  Mg5  1  0.500  0.314  0.151  1.0
  Mg  Mg6  1  0.500  0.839  0.161  1.0
  Mn  Mn7  1  0.000  0.144  0.856  1.0
[/CIF]
.
The material described by BaMg6Mn crystallizes in the orthorhombic Amm2 space group. Ba(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 face and corner-sharing BaMg10Mn2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and one Mn(1) atom. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Mn(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), two 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 Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Mn(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg6Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   6.846
_cell_length_c   6.846
_cell_angle_alpha   119.754
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.335
_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
  Ba  Ba0  1  0.500  0.330  0.670  1.0
  Mg  Mg1  1  1.000  0.706  0.848  1.0
  Mg  Mg2  1  0.000  0.152  0.294  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.849  0.686  1.0
  Mg  Mg5  1  0.500  0.314  0.151  1.0
  Mg  Mg6  1  0.500  0.839  0.161  1.0
  Mn  Mn7  1  0.000  0.144  0.856  1.0
[/CIF]
.