The compound described by BaMgMn4O8 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-54°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_BaMgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.275
_cell_length_b   7.467
_cell_length_c   7.491
_cell_angle_alpha   84.631
_cell_angle_beta   77.372
_cell_angle_gamma   77.331
_symmetry_Int_Tables_number   1
_cell_volume   174.217
_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  0.498  0.000  0.000  1.0
  Mg  Mg1  1  0.602  0.500  0.500  1.0
  Mn  Mn2  1  0.234  0.841  0.463  1.0
  Mn  Mn3  1  0.538  0.159  0.537  1.0
  Mn  Mn4  1  0.252  0.496  0.167  1.0
  Mn  Mn5  1  0.916  0.504  0.833  1.0
  O  O6  1  0.330  0.650  0.944  1.0
  O  O7  1  0.194  0.345  0.398  1.0
  O  O8  1  0.018  0.018  0.653  1.0
  O  O9  1  0.937  0.655  0.602  1.0
  O  O10  1  0.465  0.338  0.724  1.0
  O  O11  1  0.924  0.350  0.056  1.0
  O  O12  1  0.690  0.982  0.347  1.0
  O  O13  1  0.526  0.662  0.276  1.0
[/CIF]
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The compound described by BaMgMn4O8 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-54°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_BaMgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.275
_cell_length_b   7.467
_cell_length_c   7.491
_cell_angle_alpha   84.631
_cell_angle_beta   77.372
_cell_angle_gamma   77.331
_symmetry_Int_Tables_number   1
_cell_volume   174.217
_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  0.498  0.000  0.000  1.0
  Mg  Mg1  1  0.602  0.500  0.500  1.0
  Mn  Mn2  1  0.234  0.841  0.463  1.0
  Mn  Mn3  1  0.538  0.159  0.537  1.0
  Mn  Mn4  1  0.252  0.496  0.167  1.0
  Mn  Mn5  1  0.916  0.504  0.833  1.0
  O  O6  1  0.330  0.650  0.944  1.0
  O  O7  1  0.194  0.345  0.398  1.0
  O  O8  1  0.018  0.018  0.653  1.0
  O  O9  1  0.937  0.655  0.602  1.0
  O  O10  1  0.465  0.338  0.724  1.0
  O  O11  1  0.924  0.350  0.056  1.0
  O  O12  1  0.690  0.982  0.347  1.0
  O  O13  1  0.526  0.662  0.276  1.0
[/CIF]
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