The crystal structure described by MnBO3 is Calcite structured and crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.545
_cell_length_b   4.684
_cell_length_c   5.457
_cell_angle_alpha   68.816
_cell_angle_beta   65.397
_cell_angle_gamma   61.016
_symmetry_Int_Tables_number   1
_cell_volume   90.515
_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  0.264  0.250  0.250  1.0
  B  B1  1  0.736  0.750  0.750  1.0
  Mn  Mn2  1  0.000  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.262  0.538  0.264  1.0
  O  O5  1  0.041  0.750  0.750  1.0
  O  O6  1  0.436  0.038  0.764  1.0
  O  O7  1  0.564  0.962  0.236  1.0
  O  O8  1  0.959  0.250  0.250  1.0
  O  O9  1  0.738  0.462  0.736  1.0
[/CIF]
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The crystal structure described by MnBO3 is Calcite structured and crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.545
_cell_length_b   4.684
_cell_length_c   5.457
_cell_angle_alpha   68.816
_cell_angle_beta   65.397
_cell_angle_gamma   61.016
_symmetry_Int_Tables_number   1
_cell_volume   90.515
_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  0.264  0.250  0.250  1.0
  B  B1  1  0.736  0.750  0.750  1.0
  Mn  Mn2  1  0.000  1.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.262  0.538  0.264  1.0
  O  O5  1  0.041  0.750  0.750  1.0
  O  O6  1  0.436  0.038  0.764  1.0
  O  O7  1  0.564  0.962  0.236  1.0
  O  O8  1  0.959  0.250  0.250  1.0
  O  O9  1  0.738  0.462  0.736  1.0
[/CIF]
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