The crystal structure described by MnB4O7 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one B(1) and two equivalent B(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_MnB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   6.435
_cell_length_c   6.435
_cell_angle_alpha   117.090
_cell_angle_beta   89.998
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   193.402
_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
  B  B0  1  0.250  0.085  0.324  1.0
  B  B1  1  0.750  0.676  0.915  1.0
  B  B2  1  0.250  0.324  0.085  1.0
  B  B3  1  0.750  0.915  0.676  1.0
  B  B4  1  0.000  0.293  0.707  1.0
  B  B5  1  1.000  0.707  0.293  1.0
  B  B6  1  0.500  0.707  0.293  1.0
  B  B7  1  0.500  0.293  0.707  1.0
  Mn  Mn8  1  0.250  0.778  0.778  1.0
  Mn  Mn9  1  0.750  0.222  0.222  1.0
  O  O10  1  0.750  0.901  0.901  1.0
  O  O11  1  0.250  0.099  0.099  1.0
  O  O12  1  0.250  0.811  0.243  1.0
  O  O13  1  0.750  0.757  0.189  1.0
  O  O14  1  0.250  0.243  0.811  1.0
  O  O15  1  0.750  0.189  0.757  1.0
  O  O16  1  0.476  0.456  0.190  1.0
  O  O17  1  0.524  0.810  0.544  1.0
  O  O18  1  0.024  0.456  0.190  1.0
  O  O19  1  0.476  0.190  0.456  1.0
  O  O20  1  0.524  0.544  0.810  1.0
  O  O21  1  0.024  0.190  0.456  1.0
  O  O22  1  0.976  0.810  0.544  1.0
  O  O23  1  0.976  0.544  0.810  1.0
[/CIF]
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The crystal structure described by MnB4O7 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing BO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one B(1) and two equivalent B(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one B(1), and one B(2) atom. is represented by the CIF file [CIF]
data_MnB4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   6.435
_cell_length_c   6.435
_cell_angle_alpha   117.090
_cell_angle_beta   89.998
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   193.402
_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
  B  B0  1  0.250  0.085  0.324  1.0
  B  B1  1  0.750  0.676  0.915  1.0
  B  B2  1  0.250  0.324  0.085  1.0
  B  B3  1  0.750  0.915  0.676  1.0
  B  B4  1  0.000  0.293  0.707  1.0
  B  B5  1  1.000  0.707  0.293  1.0
  B  B6  1  0.500  0.707  0.293  1.0
  B  B7  1  0.500  0.293  0.707  1.0
  Mn  Mn8  1  0.250  0.778  0.778  1.0
  Mn  Mn9  1  0.750  0.222  0.222  1.0
  O  O10  1  0.750  0.901  0.901  1.0
  O  O11  1  0.250  0.099  0.099  1.0
  O  O12  1  0.250  0.811  0.243  1.0
  O  O13  1  0.750  0.757  0.189  1.0
  O  O14  1  0.250  0.243  0.811  1.0
  O  O15  1  0.750  0.189  0.757  1.0
  O  O16  1  0.476  0.456  0.190  1.0
  O  O17  1  0.524  0.810  0.544  1.0
  O  O18  1  0.024  0.456  0.190  1.0
  O  O19  1  0.476  0.190  0.456  1.0
  O  O20  1  0.524  0.544  0.810  1.0
  O  O21  1  0.024  0.190  0.456  1.0
  O  O22  1  0.976  0.810  0.544  1.0
  O  O23  1  0.976  0.544  0.810  1.0
[/CIF]
.