The crystal structure described by Mn15(O10Br3)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Br(1) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to six equivalent O(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn15(Br3O10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.238
_cell_length_b   9.238
_cell_length_c   9.238
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   557.524
_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
  Mn  Mn0  1  0.000  0.350  0.000  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.750  0.750  0.750  1.0
  Mn  Mn3  1  0.350  0.650  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.650  1.0
  Mn  Mn5  1  0.000  0.000  0.350  1.0
  Mn  Mn6  1  0.650  0.350  0.000  1.0
  Mn  Mn7  1  0.650  0.000  0.350  1.0
  Mn  Mn8  1  0.000  0.650  0.000  1.0
  Mn  Mn9  1  0.350  0.000  0.650  1.0
  Mn  Mn10  1  0.650  0.000  0.000  1.0
  Mn  Mn11  1  0.000  0.650  0.350  1.0
  Mn  Mn12  1  0.000  0.350  0.650  1.0
  Mn  Mn13  1  0.350  0.000  0.000  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Br  Br15  1  0.301  0.301  0.699  1.0
  Br  Br16  1  0.301  0.699  0.699  1.0
  Br  Br17  1  0.699  0.301  0.699  1.0
  Br  Br18  1  0.301  0.699  0.301  1.0
  Br  Br19  1  0.699  0.301  0.301  1.0
  Br  Br20  1  0.699  0.699  0.301  1.0
  O  O21  1  0.900  0.900  0.300  1.0
  O  O22  1  0.900  0.300  0.900  1.0
  O  O23  1  0.901  0.901  0.599  1.0
  O  O24  1  0.401  0.401  0.099  1.0
  O  O25  1  0.099  0.099  0.401  1.0
  O  O26  1  0.599  0.599  0.901  1.0
  O  O27  1  0.599  0.901  0.901  1.0
  O  O28  1  0.401  0.099  0.401  1.0
  O  O29  1  0.099  0.401  0.099  1.0
  O  O30  1  0.901  0.599  0.599  1.0
  O  O31  1  0.401  0.099  0.099  1.0
  O  O32  1  0.599  0.901  0.599  1.0
  O  O33  1  0.901  0.599  0.901  1.0
  O  O34  1  0.099  0.401  0.401  1.0
  O  O35  1  0.100  0.100  0.100  1.0
  O  O36  1  0.900  0.900  0.900  1.0
  O  O37  1  0.300  0.900  0.900  1.0
  O  O38  1  0.700  0.100  0.100  1.0
  O  O39  1  0.100  0.700  0.100  1.0
  O  O40  1  0.100  0.100  0.700  1.0
[/CIF]
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The crystal structure described by Mn15(O10Br3)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Br(1) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to six equivalent O(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn15(Br3O10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.238
_cell_length_b   9.238
_cell_length_c   9.238
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   557.524
_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
  Mn  Mn0  1  0.000  0.350  0.000  1.0
  Mn  Mn1  1  0.250  0.250  0.250  1.0
  Mn  Mn2  1  0.750  0.750  0.750  1.0
  Mn  Mn3  1  0.350  0.650  0.000  1.0
  Mn  Mn4  1  0.000  0.000  0.650  1.0
  Mn  Mn5  1  0.000  0.000  0.350  1.0
  Mn  Mn6  1  0.650  0.350  0.000  1.0
  Mn  Mn7  1  0.650  0.000  0.350  1.0
  Mn  Mn8  1  0.000  0.650  0.000  1.0
  Mn  Mn9  1  0.350  0.000  0.650  1.0
  Mn  Mn10  1  0.650  0.000  0.000  1.0
  Mn  Mn11  1  0.000  0.650  0.350  1.0
  Mn  Mn12  1  0.000  0.350  0.650  1.0
  Mn  Mn13  1  0.350  0.000  0.000  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Br  Br15  1  0.301  0.301  0.699  1.0
  Br  Br16  1  0.301  0.699  0.699  1.0
  Br  Br17  1  0.699  0.301  0.699  1.0
  Br  Br18  1  0.301  0.699  0.301  1.0
  Br  Br19  1  0.699  0.301  0.301  1.0
  Br  Br20  1  0.699  0.699  0.301  1.0
  O  O21  1  0.900  0.900  0.300  1.0
  O  O22  1  0.900  0.300  0.900  1.0
  O  O23  1  0.901  0.901  0.599  1.0
  O  O24  1  0.401  0.401  0.099  1.0
  O  O25  1  0.099  0.099  0.401  1.0
  O  O26  1  0.599  0.599  0.901  1.0
  O  O27  1  0.599  0.901  0.901  1.0
  O  O28  1  0.401  0.099  0.401  1.0
  O  O29  1  0.099  0.401  0.099  1.0
  O  O30  1  0.901  0.599  0.599  1.0
  O  O31  1  0.401  0.099  0.099  1.0
  O  O32  1  0.599  0.901  0.599  1.0
  O  O33  1  0.901  0.599  0.901  1.0
  O  O34  1  0.099  0.401  0.401  1.0
  O  O35  1  0.100  0.100  0.100  1.0
  O  O36  1  0.900  0.900  0.900  1.0
  O  O37  1  0.300  0.900  0.900  1.0
  O  O38  1  0.700  0.100  0.100  1.0
  O  O39  1  0.100  0.700  0.100  1.0
  O  O40  1  0.100  0.100  0.700  1.0
[/CIF]
.