The material structure described by BaMn6O12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(4) is bonded to one Ba(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OBaMn3 trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_BaMn6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   9.782
_cell_angle_alpha   54.129
_cell_angle_beta   54.129
_cell_angle_gamma   64.398
_symmetry_Int_Tables_number   1
_cell_volume   422.545
_cell_formula_units_Z   2
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  0.716  0.284  0.000  1.0
  Ba  Ba1  1  0.284  0.716  0.000  1.0
  Mn  Mn2  1  0.337  0.337  0.815  1.0
  Mn  Mn3  1  0.002  0.670  0.815  1.0
  Mn  Mn4  1  0.670  0.002  0.815  1.0
  Mn  Mn5  1  0.998  0.330  0.185  1.0
  Mn  Mn6  1  0.663  0.663  0.185  1.0
  Mn  Mn7  1  0.330  0.998  0.185  1.0
  Mn  Mn8  1  0.148  0.148  0.520  1.0
  Mn  Mn9  1  0.483  0.814  0.520  1.0
  Mn  Mn10  1  0.814  0.483  0.520  1.0
  Mn  Mn11  1  0.852  0.852  0.480  1.0
  Mn  Mn12  1  0.186  0.517  0.480  1.0
  Mn  Mn13  1  0.517  0.186  0.480  1.0
  O  O14  1  0.350  0.350  0.606  1.0
  O  O15  1  0.013  0.676  0.612  1.0
  O  O16  1  0.676  0.013  0.612  1.0
  O  O17  1  0.987  0.324  0.388  1.0
  O  O18  1  0.650  0.650  0.394  1.0
  O  O19  1  0.324  0.987  0.388  1.0
  O  O20  1  0.344  0.344  0.350  1.0
  O  O21  1  0.006  0.675  0.357  1.0
  O  O22  1  0.675  0.006  0.357  1.0
  O  O23  1  0.994  0.325  0.643  1.0
  O  O24  1  0.656  0.656  0.650  1.0
  O  O25  1  0.325  0.994  0.643  1.0
  O  O26  1  0.627  0.290  0.723  1.0
  O  O27  1  0.290  0.627  0.723  1.0
  O  O28  1  0.958  0.958  0.716  1.0
  O  O29  1  0.710  0.373  0.277  1.0
  O  O30  1  0.373  0.710  0.277  1.0
  O  O31  1  0.042  0.042  0.284  1.0
  O  O32  1  0.957  0.627  0.059  1.0
  O  O33  1  0.627  0.957  0.059  1.0
  O  O34  1  0.296  0.296  0.060  1.0
  O  O35  1  0.373  0.043  0.941  1.0
  O  O36  1  0.043  0.373  0.941  1.0
  O  O37  1  0.704  0.704  0.940  1.0
[/CIF]
.
The material structure described by BaMn6O12 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(4) is bonded to one Ba(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OBaMn3 trigonal pyramids. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mn(1), and two equivalent Mn(2) atoms. In the seventh O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the eighth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_BaMn6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   9.782
_cell_angle_alpha   54.129
_cell_angle_beta   54.129
_cell_angle_gamma   64.398
_symmetry_Int_Tables_number   1
_cell_volume   422.545
_cell_formula_units_Z   2
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  0.716  0.284  0.000  1.0
  Ba  Ba1  1  0.284  0.716  0.000  1.0
  Mn  Mn2  1  0.337  0.337  0.815  1.0
  Mn  Mn3  1  0.002  0.670  0.815  1.0
  Mn  Mn4  1  0.670  0.002  0.815  1.0
  Mn  Mn5  1  0.998  0.330  0.185  1.0
  Mn  Mn6  1  0.663  0.663  0.185  1.0
  Mn  Mn7  1  0.330  0.998  0.185  1.0
  Mn  Mn8  1  0.148  0.148  0.520  1.0
  Mn  Mn9  1  0.483  0.814  0.520  1.0
  Mn  Mn10  1  0.814  0.483  0.520  1.0
  Mn  Mn11  1  0.852  0.852  0.480  1.0
  Mn  Mn12  1  0.186  0.517  0.480  1.0
  Mn  Mn13  1  0.517  0.186  0.480  1.0
  O  O14  1  0.350  0.350  0.606  1.0
  O  O15  1  0.013  0.676  0.612  1.0
  O  O16  1  0.676  0.013  0.612  1.0
  O  O17  1  0.987  0.324  0.388  1.0
  O  O18  1  0.650  0.650  0.394  1.0
  O  O19  1  0.324  0.987  0.388  1.0
  O  O20  1  0.344  0.344  0.350  1.0
  O  O21  1  0.006  0.675  0.357  1.0
  O  O22  1  0.675  0.006  0.357  1.0
  O  O23  1  0.994  0.325  0.643  1.0
  O  O24  1  0.656  0.656  0.650  1.0
  O  O25  1  0.325  0.994  0.643  1.0
  O  O26  1  0.627  0.290  0.723  1.0
  O  O27  1  0.290  0.627  0.723  1.0
  O  O28  1  0.958  0.958  0.716  1.0
  O  O29  1  0.710  0.373  0.277  1.0
  O  O30  1  0.373  0.710  0.277  1.0
  O  O31  1  0.042  0.042  0.284  1.0
  O  O32  1  0.957  0.627  0.059  1.0
  O  O33  1  0.627  0.957  0.059  1.0
  O  O34  1  0.296  0.296  0.060  1.0
  O  O35  1  0.373  0.043  0.941  1.0
  O  O36  1  0.043  0.373  0.941  1.0
  O  O37  1  0.704  0.704  0.940  1.0
[/CIF]
.