The crystal structure described by Ba6Mn5O16 crystallizes in the orthorhombic Cmce space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(6), three equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and three equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of distorted corner and face-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Mn(3) atom. In the second O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Mn(3) atoms. In the third O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), three equivalent Ba(3), and one Mn(3) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mn(1), and one Mn(3) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba6Mn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.216
_cell_length_c   20.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.187
_symmetry_Int_Tables_number   1
_cell_volume   762.341
_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  0.355  0.645  0.980  1.0
  Ba  Ba1  1  0.645  0.355  0.020  1.0
  Ba  Ba2  1  0.145  0.855  0.480  1.0
  Ba  Ba3  1  0.855  0.145  0.520  1.0
  Ba  Ba4  1  0.085  0.915  0.678  1.0
  Ba  Ba5  1  0.915  0.085  0.322  1.0
  Ba  Ba6  1  0.415  0.585  0.178  1.0
  Ba  Ba7  1  0.585  0.415  0.822  1.0
  Ba  Ba8  1  0.378  0.622  0.662  1.0
  Ba  Ba9  1  0.622  0.378  0.338  1.0
  Ba  Ba10  1  0.122  0.878  0.162  1.0
  Ba  Ba11  1  0.878  0.122  0.838  1.0
  Mn  Mn12  1  0.123  0.877  0.907  1.0
  Mn  Mn13  1  0.877  0.123  0.093  1.0
  Mn  Mn14  1  0.377  0.623  0.407  1.0
  Mn  Mn15  1  0.623  0.377  0.593  1.0
  Mn  Mn16  1  0.000  0.000  0.000  1.0
  Mn  Mn17  1  0.500  0.500  0.500  1.0
  Mn  Mn18  1  0.249  0.751  0.811  1.0
  Mn  Mn19  1  0.751  0.249  0.189  1.0
  Mn  Mn20  1  0.251  0.749  0.311  1.0
  Mn  Mn21  1  0.749  0.251  0.689  1.0
  O  O22  1  0.491  0.940  0.385  1.0
  O  O23  1  0.940  0.491  0.615  1.0
  O  O24  1  0.009  0.560  0.885  1.0
  O  O25  1  0.560  0.009  0.115  1.0
  O  O26  1  0.509  0.060  0.615  1.0
  O  O27  1  0.060  0.509  0.385  1.0
  O  O28  1  0.991  0.440  0.115  1.0
  O  O29  1  0.440  0.991  0.885  1.0
  O  O30  1  0.758  0.797  0.069  1.0
  O  O31  1  0.797  0.758  0.931  1.0
  O  O32  1  0.742  0.703  0.569  1.0
  O  O33  1  0.703  0.742  0.431  1.0
  O  O34  1  0.242  0.203  0.931  1.0
  O  O35  1  0.203  0.242  0.069  1.0
  O  O36  1  0.258  0.297  0.431  1.0
  O  O37  1  0.297  0.258  0.569  1.0
  O  O38  1  0.144  0.856  0.002  1.0
  O  O39  1  0.856  0.144  0.998  1.0
  O  O40  1  0.356  0.644  0.502  1.0
  O  O41  1  0.644  0.356  0.498  1.0
  O  O42  1  0.090  0.910  0.816  1.0
  O  O43  1  0.910  0.090  0.184  1.0
  O  O44  1  0.489  0.011  0.750  1.0
  O  O45  1  0.011  0.489  0.250  1.0
  O  O46  1  0.511  0.989  0.250  1.0
  O  O47  1  0.989  0.511  0.750  1.0
  O  O48  1  0.883  0.117  0.685  1.0
  O  O49  1  0.117  0.883  0.315  1.0
  O  O50  1  0.617  0.383  0.185  1.0
  O  O51  1  0.383  0.617  0.815  1.0
  O  O52  1  0.590  0.410  0.684  1.0
  O  O53  1  0.410  0.590  0.316  1.0
[/CIF]
.
The crystal structure described by Ba6Mn5O16 crystallizes in the orthorhombic Cmce space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(6), three equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and three equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of distorted corner and face-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Mn(3) atom. In the second O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Mn(3) atoms. In the third O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), three equivalent Ba(3), and one Mn(3) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mn(1), and one Mn(3) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba6Mn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.216
_cell_length_b   7.216
_cell_length_c   20.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.187
_symmetry_Int_Tables_number   1
_cell_volume   762.341
_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  0.355  0.645  0.980  1.0
  Ba  Ba1  1  0.645  0.355  0.020  1.0
  Ba  Ba2  1  0.145  0.855  0.480  1.0
  Ba  Ba3  1  0.855  0.145  0.520  1.0
  Ba  Ba4  1  0.085  0.915  0.678  1.0
  Ba  Ba5  1  0.915  0.085  0.322  1.0
  Ba  Ba6  1  0.415  0.585  0.178  1.0
  Ba  Ba7  1  0.585  0.415  0.822  1.0
  Ba  Ba8  1  0.378  0.622  0.662  1.0
  Ba  Ba9  1  0.622  0.378  0.338  1.0
  Ba  Ba10  1  0.122  0.878  0.162  1.0
  Ba  Ba11  1  0.878  0.122  0.838  1.0
  Mn  Mn12  1  0.123  0.877  0.907  1.0
  Mn  Mn13  1  0.877  0.123  0.093  1.0
  Mn  Mn14  1  0.377  0.623  0.407  1.0
  Mn  Mn15  1  0.623  0.377  0.593  1.0
  Mn  Mn16  1  0.000  0.000  0.000  1.0
  Mn  Mn17  1  0.500  0.500  0.500  1.0
  Mn  Mn18  1  0.249  0.751  0.811  1.0
  Mn  Mn19  1  0.751  0.249  0.189  1.0
  Mn  Mn20  1  0.251  0.749  0.311  1.0
  Mn  Mn21  1  0.749  0.251  0.689  1.0
  O  O22  1  0.491  0.940  0.385  1.0
  O  O23  1  0.940  0.491  0.615  1.0
  O  O24  1  0.009  0.560  0.885  1.0
  O  O25  1  0.560  0.009  0.115  1.0
  O  O26  1  0.509  0.060  0.615  1.0
  O  O27  1  0.060  0.509  0.385  1.0
  O  O28  1  0.991  0.440  0.115  1.0
  O  O29  1  0.440  0.991  0.885  1.0
  O  O30  1  0.758  0.797  0.069  1.0
  O  O31  1  0.797  0.758  0.931  1.0
  O  O32  1  0.742  0.703  0.569  1.0
  O  O33  1  0.703  0.742  0.431  1.0
  O  O34  1  0.242  0.203  0.931  1.0
  O  O35  1  0.203  0.242  0.069  1.0
  O  O36  1  0.258  0.297  0.431  1.0
  O  O37  1  0.297  0.258  0.569  1.0
  O  O38  1  0.144  0.856  0.002  1.0
  O  O39  1  0.856  0.144  0.998  1.0
  O  O40  1  0.356  0.644  0.502  1.0
  O  O41  1  0.644  0.356  0.498  1.0
  O  O42  1  0.090  0.910  0.816  1.0
  O  O43  1  0.910  0.090  0.184  1.0
  O  O44  1  0.489  0.011  0.750  1.0
  O  O45  1  0.011  0.489  0.250  1.0
  O  O46  1  0.511  0.989  0.250  1.0
  O  O47  1  0.989  0.511  0.750  1.0
  O  O48  1  0.883  0.117  0.685  1.0
  O  O49  1  0.117  0.883  0.315  1.0
  O  O50  1  0.617  0.383  0.185  1.0
  O  O51  1  0.383  0.617  0.815  1.0
  O  O52  1  0.590  0.410  0.684  1.0
  O  O53  1  0.410  0.590  0.316  1.0
[/CIF]
.