The compound described by Na4Mn3BO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second Na site, Na(2) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. B(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(3)Na3MnB2 octahedra, corners with two equivalent O(1)Na3Mn3 octahedra, corners with two equivalent O(4)Na3Mn3 octahedra,  a cornercorner with one O(2)Na3Mn2 square pyramid, edges with five equivalent O(1)Na3Mn3 octahedra, edges with five equivalent O(4)Na3Mn3 octahedra, and edges with two equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), and two equivalent Mn(1) atoms to form distorted ONa3Mn2 square pyramids that share  a cornercorner with one O(1)Na3Mn3 octahedra, corners with two equivalent O(4)Na3Mn3 octahedra, corners with six equivalent O(3)Na3MnB2 octahedra,  an edgeedge with one O(3)Na3MnB2 octahedra, edges with two equivalent O(1)Na3Mn3 octahedra, edges with three equivalent O(4)Na3Mn3 octahedra, and edges with two equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-103°. In the third O site, O(3) is bonded to three equivalent Na(2), one Mn(1), and two equivalent B(1) atoms to form distorted ONa3MnB2 octahedra that share  a cornercorner with one O(1)Na3Mn3 octahedra,  a cornercorner with one O(4)Na3Mn3 octahedra, corners with two equivalent O(3)Na3MnB2 octahedra, corners with six equivalent O(2)Na3Mn2 square pyramids, edges with two equivalent O(4)Na3Mn3 octahedra, edges with five equivalent O(3)Na3MnB2 octahedra, and  an edgeedge with one O(2)Na3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(4)Na3Mn3 octahedra,  a cornercorner with one O(3)Na3MnB2 octahedra, corners with two equivalent O(1)Na3Mn3 octahedra, corners with two equivalent O(2)Na3Mn2 square pyramids, edges with two equivalent O(4)Na3Mn3 octahedra, edges with two equivalent O(3)Na3MnB2 octahedra, edges with five equivalent O(1)Na3Mn3 octahedra, and edges with three equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mn3BO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.776
_cell_length_b   11.370
_cell_length_c   5.592
_cell_angle_alpha   83.661
_cell_angle_beta   104.369
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.842
_cell_formula_units_Z   1
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
  Na  Na0  1  0.250  0.627  0.501  1.0
  Na  Na1  1  0.751  0.880  0.502  1.0
  Na  Na2  1  0.249  0.120  0.498  1.0
  Na  Na3  1  0.750  0.373  0.499  1.0
  Mn  Mn4  1  0.501  0.241  0.002  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.499  0.759  0.998  1.0
  B  B7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.606  0.552  0.211  1.0
  O  O9  1  0.104  0.812  0.208  1.0
  O  O10  1  0.588  0.042  0.175  1.0
  O  O11  1  0.105  0.295  0.210  1.0
  O  O12  1  0.895  0.705  0.790  1.0
  O  O13  1  0.412  0.958  0.825  1.0
  O  O14  1  0.896  0.188  0.792  1.0
  O  O15  1  0.394  0.448  0.789  1.0
[/CIF]
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The compound described by Na4Mn3BO8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second Na site, Na(2) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. B(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(3)Na3MnB2 octahedra, corners with two equivalent O(1)Na3Mn3 octahedra, corners with two equivalent O(4)Na3Mn3 octahedra,  a cornercorner with one O(2)Na3Mn2 square pyramid, edges with five equivalent O(1)Na3Mn3 octahedra, edges with five equivalent O(4)Na3Mn3 octahedra, and edges with two equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), and two equivalent Mn(1) atoms to form distorted ONa3Mn2 square pyramids that share  a cornercorner with one O(1)Na3Mn3 octahedra, corners with two equivalent O(4)Na3Mn3 octahedra, corners with six equivalent O(3)Na3MnB2 octahedra,  an edgeedge with one O(3)Na3MnB2 octahedra, edges with two equivalent O(1)Na3Mn3 octahedra, edges with three equivalent O(4)Na3Mn3 octahedra, and edges with two equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-103°. In the third O site, O(3) is bonded to three equivalent Na(2), one Mn(1), and two equivalent B(1) atoms to form distorted ONa3MnB2 octahedra that share  a cornercorner with one O(1)Na3Mn3 octahedra,  a cornercorner with one O(4)Na3Mn3 octahedra, corners with two equivalent O(3)Na3MnB2 octahedra, corners with six equivalent O(2)Na3Mn2 square pyramids, edges with two equivalent O(4)Na3Mn3 octahedra, edges with five equivalent O(3)Na3MnB2 octahedra, and  an edgeedge with one O(2)Na3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONa3Mn3 octahedra that share  a cornercorner with one O(4)Na3Mn3 octahedra,  a cornercorner with one O(3)Na3MnB2 octahedra, corners with two equivalent O(1)Na3Mn3 octahedra, corners with two equivalent O(2)Na3Mn2 square pyramids, edges with two equivalent O(4)Na3Mn3 octahedra, edges with two equivalent O(3)Na3MnB2 octahedra, edges with five equivalent O(1)Na3Mn3 octahedra, and edges with three equivalent O(2)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mn3BO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.776
_cell_length_b   11.370
_cell_length_c   5.592
_cell_angle_alpha   83.661
_cell_angle_beta   104.369
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.842
_cell_formula_units_Z   1
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
  Na  Na0  1  0.250  0.627  0.501  1.0
  Na  Na1  1  0.751  0.880  0.502  1.0
  Na  Na2  1  0.249  0.120  0.498  1.0
  Na  Na3  1  0.750  0.373  0.499  1.0
  Mn  Mn4  1  0.501  0.241  0.002  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.499  0.759  0.998  1.0
  B  B7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.606  0.552  0.211  1.0
  O  O9  1  0.104  0.812  0.208  1.0
  O  O10  1  0.588  0.042  0.175  1.0
  O  O11  1  0.105  0.295  0.210  1.0
  O  O12  1  0.895  0.705  0.790  1.0
  O  O13  1  0.412  0.958  0.825  1.0
  O  O14  1  0.896  0.188  0.792  1.0
  O  O15  1  0.394  0.448  0.789  1.0
[/CIF]
.