The crystal structure described by Mn3B7O13Br crystallizes in the cubic F-43c space group. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Br(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to four equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one B(1), and one B(2) atom. Br(1) is bonded to six equivalent Mn(1) atoms to form corner-sharing BrMn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mn3B7BrO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.767
_cell_length_b   8.767
_cell_length_c   8.767
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   476.526
_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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  B  B6  1  0.739  0.420  0.420  1.0
  B  B7  1  0.920  0.920  0.239  1.0
  B  B8  1  0.239  0.920  0.920  1.0
  B  B9  1  0.420  0.420  0.420  1.0
  B  B10  1  0.250  0.750  0.750  1.0
  B  B11  1  0.420  0.420  0.739  1.0
  B  B12  1  0.750  0.250  0.750  1.0
  B  B13  1  0.250  0.250  0.750  1.0
  B  B14  1  0.750  0.250  0.250  1.0
  B  B15  1  0.250  0.750  0.250  1.0
  B  B16  1  0.750  0.750  0.250  1.0
  B  B17  1  0.420  0.739  0.420  1.0
  B  B18  1  0.920  0.239  0.920  1.0
  B  B19  1  0.920  0.920  0.920  1.0
  Br  Br20  1  0.250  0.250  0.250  1.0
  Br  Br21  1  0.750  0.750  0.750  1.0
  O  O22  1  0.749  0.297  0.064  1.0
  O  O23  1  0.297  0.064  0.749  1.0
  O  O24  1  0.391  0.564  0.249  1.0
  O  O25  1  0.064  0.297  0.891  1.0
  O  O26  1  0.249  0.797  0.391  1.0
  O  O27  1  0.297  0.891  0.064  1.0
  O  O28  1  0.797  0.391  0.249  1.0
  O  O29  1  0.564  0.797  0.249  1.0
  O  O30  1  0.891  0.297  0.749  1.0
  O  O31  1  0.891  0.749  0.064  1.0
  O  O32  1  0.249  0.564  0.797  1.0
  O  O33  1  0.749  0.891  0.297  1.0
  O  O34  1  0.391  0.797  0.564  1.0
  O  O35  1  0.797  0.249  0.564  1.0
  O  O36  1  0.500  0.500  0.500  1.0
  O  O37  1  0.064  0.891  0.749  1.0
  O  O38  1  0.564  0.249  0.391  1.0
  O  O39  1  0.064  0.749  0.297  1.0
  O  O40  1  0.000  0.000  0.000  1.0
  O  O41  1  0.564  0.391  0.797  1.0
  O  O42  1  0.797  0.564  0.391  1.0
  O  O43  1  0.249  0.391  0.564  1.0
  O  O44  1  0.749  0.064  0.891  1.0
  O  O45  1  0.297  0.749  0.891  1.0
  O  O46  1  0.891  0.064  0.297  1.0
  O  O47  1  0.391  0.249  0.797  1.0
[/CIF]
.
The crystal structure described by Mn3B7O13Br crystallizes in the cubic F-43c space group. Mn(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Br(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to four equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a tetrahedral geometry to four equivalent B(1) atoms. In the second O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one B(1), and one B(2) atom. Br(1) is bonded to six equivalent Mn(1) atoms to form corner-sharing BrMn6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Mn3B7BrO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.767
_cell_length_b   8.767
_cell_length_c   8.767
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   476.526
_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
  Mn  Mn0  1  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  B  B6  1  0.739  0.420  0.420  1.0
  B  B7  1  0.920  0.920  0.239  1.0
  B  B8  1  0.239  0.920  0.920  1.0
  B  B9  1  0.420  0.420  0.420  1.0
  B  B10  1  0.250  0.750  0.750  1.0
  B  B11  1  0.420  0.420  0.739  1.0
  B  B12  1  0.750  0.250  0.750  1.0
  B  B13  1  0.250  0.250  0.750  1.0
  B  B14  1  0.750  0.250  0.250  1.0
  B  B15  1  0.250  0.750  0.250  1.0
  B  B16  1  0.750  0.750  0.250  1.0
  B  B17  1  0.420  0.739  0.420  1.0
  B  B18  1  0.920  0.239  0.920  1.0
  B  B19  1  0.920  0.920  0.920  1.0
  Br  Br20  1  0.250  0.250  0.250  1.0
  Br  Br21  1  0.750  0.750  0.750  1.0
  O  O22  1  0.749  0.297  0.064  1.0
  O  O23  1  0.297  0.064  0.749  1.0
  O  O24  1  0.391  0.564  0.249  1.0
  O  O25  1  0.064  0.297  0.891  1.0
  O  O26  1  0.249  0.797  0.391  1.0
  O  O27  1  0.297  0.891  0.064  1.0
  O  O28  1  0.797  0.391  0.249  1.0
  O  O29  1  0.564  0.797  0.249  1.0
  O  O30  1  0.891  0.297  0.749  1.0
  O  O31  1  0.891  0.749  0.064  1.0
  O  O32  1  0.249  0.564  0.797  1.0
  O  O33  1  0.749  0.891  0.297  1.0
  O  O34  1  0.391  0.797  0.564  1.0
  O  O35  1  0.797  0.249  0.564  1.0
  O  O36  1  0.500  0.500  0.500  1.0
  O  O37  1  0.064  0.891  0.749  1.0
  O  O38  1  0.564  0.249  0.391  1.0
  O  O39  1  0.064  0.749  0.297  1.0
  O  O40  1  0.000  0.000  0.000  1.0
  O  O41  1  0.564  0.391  0.797  1.0
  O  O42  1  0.797  0.564  0.391  1.0
  O  O43  1  0.249  0.391  0.564  1.0
  O  O44  1  0.749  0.064  0.891  1.0
  O  O45  1  0.297  0.749  0.891  1.0
  O  O46  1  0.891  0.064  0.297  1.0
  O  O47  1  0.391  0.249  0.797  1.0
[/CIF]
.