The compound described by MnBO3 crystallizes in the hexagonal P-6 space group. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing MnO5 square pyramids. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three 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 distorted trigonal planar geometry to two equivalent Mn(1) and one B(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one B(2) atom. is represented by the CIF card [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.403
_cell_length_b   8.403
_cell_length_c   3.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   187.897
_cell_formula_units_Z   3
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  0.375  0.368  0.000  1.0
  Mn  Mn1  1  0.993  0.625  0.000  1.0
  Mn  Mn2  1  0.632  0.007  0.000  1.0
  B  B3  1  0.333  0.667  0.500  1.0
  B  B4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.667  0.333  0.500  1.0
  O  O6  1  0.149  0.612  0.500  1.0
  O  O7  1  0.717  0.199  0.500  1.0
  O  O8  1  0.801  0.518  0.500  1.0
  O  O9  1  0.073  0.887  0.000  1.0
  O  O10  1  0.814  0.927  0.000  1.0
  O  O11  1  0.113  0.186  0.000  1.0
  O  O12  1  0.482  0.283  0.500  1.0
  O  O13  1  0.388  0.536  0.500  1.0
  O  O14  1  0.464  0.851  0.500  1.0
[/CIF]
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The compound described by MnBO3 crystallizes in the hexagonal P-6 space group. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing MnO5 square pyramids. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three 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 distorted trigonal planar geometry to two equivalent Mn(1) and one B(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one B(2) atom. is represented by the CIF card [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.403
_cell_length_b   8.403
_cell_length_c   3.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   187.897
_cell_formula_units_Z   3
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  0.375  0.368  0.000  1.0
  Mn  Mn1  1  0.993  0.625  0.000  1.0
  Mn  Mn2  1  0.632  0.007  0.000  1.0
  B  B3  1  0.333  0.667  0.500  1.0
  B  B4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.667  0.333  0.500  1.0
  O  O6  1  0.149  0.612  0.500  1.0
  O  O7  1  0.717  0.199  0.500  1.0
  O  O8  1  0.801  0.518  0.500  1.0
  O  O9  1  0.073  0.887  0.000  1.0
  O  O10  1  0.814  0.927  0.000  1.0
  O  O11  1  0.113  0.186  0.000  1.0
  O  O12  1  0.482  0.283  0.500  1.0
  O  O13  1  0.388  0.536  0.500  1.0
  O  O14  1  0.464  0.851  0.500  1.0
[/CIF]
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