The crystal structure described by MnBO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(1) atom. is represented by the CIF card [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.715
_cell_length_b   5.604
_cell_length_c   7.472
_cell_angle_alpha   74.887
_cell_angle_beta   87.667
_cell_angle_gamma   88.369
_symmetry_Int_Tables_number   1
_cell_volume   190.433
_cell_formula_units_Z   4
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  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  1.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  1.000  1.000  0.500  1.0
  B  B4  1  0.984  0.491  0.238  1.0
  B  B5  1  0.521  0.999  0.742  1.0
  B  B6  1  0.017  0.509  0.762  1.0
  B  B7  1  0.478  0.001  0.258  1.0
  O  O8  1  0.814  0.995  0.736  1.0
  O  O9  1  0.277  0.504  0.229  1.0
  O  O10  1  0.151  0.646  0.600  1.0
  O  O11  1  0.624  0.161  0.112  1.0
  O  O12  1  0.632  0.836  0.392  1.0
  O  O13  1  0.176  0.373  0.906  1.0
  O  O14  1  0.368  0.164  0.608  1.0
  O  O15  1  0.825  0.626  0.094  1.0
  O  O16  1  0.849  0.354  0.400  1.0
  O  O17  1  0.376  0.839  0.888  1.0
  O  O18  1  0.186  0.005  0.264  1.0
  O  O19  1  0.723  0.496  0.771  1.0
[/CIF]
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The crystal structure described by MnBO3 is Calcite-like structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one B(1) atom. is represented by the CIF card [CIF]
data_MnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.715
_cell_length_b   5.604
_cell_length_c   7.472
_cell_angle_alpha   74.887
_cell_angle_beta   87.667
_cell_angle_gamma   88.369
_symmetry_Int_Tables_number   1
_cell_volume   190.433
_cell_formula_units_Z   4
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  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.500  1.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  1.000  1.000  0.500  1.0
  B  B4  1  0.984  0.491  0.238  1.0
  B  B5  1  0.521  0.999  0.742  1.0
  B  B6  1  0.017  0.509  0.762  1.0
  B  B7  1  0.478  0.001  0.258  1.0
  O  O8  1  0.814  0.995  0.736  1.0
  O  O9  1  0.277  0.504  0.229  1.0
  O  O10  1  0.151  0.646  0.600  1.0
  O  O11  1  0.624  0.161  0.112  1.0
  O  O12  1  0.632  0.836  0.392  1.0
  O  O13  1  0.176  0.373  0.906  1.0
  O  O14  1  0.368  0.164  0.608  1.0
  O  O15  1  0.825  0.626  0.094  1.0
  O  O16  1  0.849  0.354  0.400  1.0
  O  O17  1  0.376  0.839  0.888  1.0
  O  O18  1  0.186  0.005  0.264  1.0
  O  O19  1  0.723  0.496  0.771  1.0
[/CIF]
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