The structure described by NaMnBO3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form face-sharing MnO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(2), two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(2), two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.220
_cell_length_c   5.878
_cell_angle_alpha   85.210
_cell_angle_beta   80.682
_cell_angle_gamma   60.328
_symmetry_Int_Tables_number   1
_cell_volume   136.054
_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  0.338  0.332  0.748  1.0
  B  B1  1  0.674  0.663  0.248  1.0
  Mn  Mn2  1  0.006  0.996  0.498  1.0
  Mn  Mn3  1  0.005  0.998  0.998  1.0
  Na  Na4  1  0.671  0.666  0.749  1.0
  Na  Na5  1  0.341  0.324  0.250  1.0
  O  O6  1  0.181  0.638  0.751  1.0
  O  O7  1  0.830  0.357  0.247  1.0
  O  O8  1  0.198  0.178  0.701  1.0
  O  O9  1  0.633  0.182  0.793  1.0
  O  O10  1  0.379  0.812  0.202  1.0
  O  O11  1  0.813  0.818  0.294  1.0
[/CIF]
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The structure described by NaMnBO3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form face-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form face-sharing MnO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(2), two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(2), two equivalent Na(1), one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), one Mn(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.220
_cell_length_c   5.878
_cell_angle_alpha   85.210
_cell_angle_beta   80.682
_cell_angle_gamma   60.328
_symmetry_Int_Tables_number   1
_cell_volume   136.054
_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  0.338  0.332  0.748  1.0
  B  B1  1  0.674  0.663  0.248  1.0
  Mn  Mn2  1  0.006  0.996  0.498  1.0
  Mn  Mn3  1  0.005  0.998  0.998  1.0
  Na  Na4  1  0.671  0.666  0.749  1.0
  Na  Na5  1  0.341  0.324  0.250  1.0
  O  O6  1  0.181  0.638  0.751  1.0
  O  O7  1  0.830  0.357  0.247  1.0
  O  O8  1  0.198  0.178  0.701  1.0
  O  O9  1  0.633  0.182  0.793  1.0
  O  O10  1  0.379  0.812  0.202  1.0
  O  O11  1  0.813  0.818  0.294  1.0
[/CIF]
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