The compound described by Ba4Mn3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. There are two 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 a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), four equivalent Ba(1), and one Mn(1) atom. In the third O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba4Mn3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.194
_cell_length_b   7.194
_cell_length_c   12.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.229
_symmetry_Int_Tables_number   1
_cell_volume   482.747
_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  0.244  0.756  0.889  1.0
  Ba  Ba1  1  0.756  0.244  0.111  1.0
  Ba  Ba2  1  0.256  0.744  0.389  1.0
  Ba  Ba3  1  0.744  0.256  0.611  1.0
  Ba  Ba4  1  0.038  0.962  0.641  1.0
  Ba  Ba5  1  0.962  0.038  0.359  1.0
  Ba  Ba6  1  0.462  0.538  0.141  1.0
  Ba  Ba7  1  0.538  0.462  0.859  1.0
  Mn  Mn8  1  0.375  0.625  0.653  1.0
  Mn  Mn9  1  0.625  0.375  0.347  1.0
  Mn  Mn10  1  0.125  0.875  0.153  1.0
  Mn  Mn11  1  0.875  0.125  0.847  1.0
  Mn  Mn12  1  0.500  0.500  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.135  0.365  0.750  1.0
  O  O15  1  0.365  0.135  0.250  1.0
  O  O16  1  0.865  0.635  0.250  1.0
  O  O17  1  0.635  0.865  0.750  1.0
  O  O18  1  0.384  0.179  0.462  1.0
  O  O19  1  0.179  0.384  0.538  1.0
  O  O20  1  0.116  0.321  0.962  1.0
  O  O21  1  0.321  0.116  0.038  1.0
  O  O22  1  0.616  0.821  0.538  1.0
  O  O23  1  0.821  0.616  0.462  1.0
  O  O24  1  0.884  0.679  0.038  1.0
  O  O25  1  0.679  0.884  0.962  1.0
  O  O26  1  0.239  0.761  0.648  1.0
  O  O27  1  0.761  0.239  0.352  1.0
  O  O28  1  0.967  0.033  0.144  1.0
  O  O29  1  0.033  0.967  0.856  1.0
  O  O30  1  0.533  0.467  0.644  1.0
  O  O31  1  0.467  0.533  0.356  1.0
  O  O32  1  0.739  0.261  0.852  1.0
  O  O33  1  0.261  0.739  0.148  1.0
[/CIF]
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The compound described by Ba4Mn3O10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(4), and four equivalent O(2) atoms. There are two 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 a mixture of face and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form face-sharing MnO6 octahedra. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Mn(2) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), four equivalent Ba(1), and one Mn(1) atom. In the third O site, O(4) is bonded to one Ba(1), three equivalent Ba(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba4Mn3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.194
_cell_length_b   7.194
_cell_length_c   12.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.229
_symmetry_Int_Tables_number   1
_cell_volume   482.747
_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  0.244  0.756  0.889  1.0
  Ba  Ba1  1  0.756  0.244  0.111  1.0
  Ba  Ba2  1  0.256  0.744  0.389  1.0
  Ba  Ba3  1  0.744  0.256  0.611  1.0
  Ba  Ba4  1  0.038  0.962  0.641  1.0
  Ba  Ba5  1  0.962  0.038  0.359  1.0
  Ba  Ba6  1  0.462  0.538  0.141  1.0
  Ba  Ba7  1  0.538  0.462  0.859  1.0
  Mn  Mn8  1  0.375  0.625  0.653  1.0
  Mn  Mn9  1  0.625  0.375  0.347  1.0
  Mn  Mn10  1  0.125  0.875  0.153  1.0
  Mn  Mn11  1  0.875  0.125  0.847  1.0
  Mn  Mn12  1  0.500  0.500  0.500  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.135  0.365  0.750  1.0
  O  O15  1  0.365  0.135  0.250  1.0
  O  O16  1  0.865  0.635  0.250  1.0
  O  O17  1  0.635  0.865  0.750  1.0
  O  O18  1  0.384  0.179  0.462  1.0
  O  O19  1  0.179  0.384  0.538  1.0
  O  O20  1  0.116  0.321  0.962  1.0
  O  O21  1  0.321  0.116  0.038  1.0
  O  O22  1  0.616  0.821  0.538  1.0
  O  O23  1  0.821  0.616  0.462  1.0
  O  O24  1  0.884  0.679  0.038  1.0
  O  O25  1  0.679  0.884  0.962  1.0
  O  O26  1  0.239  0.761  0.648  1.0
  O  O27  1  0.761  0.239  0.352  1.0
  O  O28  1  0.967  0.033  0.144  1.0
  O  O29  1  0.033  0.967  0.856  1.0
  O  O30  1  0.533  0.467  0.644  1.0
  O  O31  1  0.467  0.533  0.356  1.0
  O  O32  1  0.739  0.261  0.852  1.0
  O  O33  1  0.261  0.739  0.148  1.0
[/CIF]
.