The crystal structure described by Na3MnBSiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na3MnSiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.290
_cell_length_b   6.473
_cell_length_c   8.952
_cell_angle_alpha   89.990
_cell_angle_beta   87.425
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   306.220
_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  0.277  0.250  0.932  1.0
  B  B1  1  0.723  0.750  0.068  1.0
  Mn  Mn2  1  0.216  0.250  0.665  1.0
  Mn  Mn3  1  0.784  0.750  0.334  1.0
  Na  Na4  1  0.232  0.750  0.917  1.0
  Na  Na5  1  0.768  0.250  0.083  1.0
  Na  Na6  1  0.746  0.989  0.737  1.0
  Na  Na7  1  0.746  0.511  0.737  1.0
  Na  Na8  1  0.254  0.489  0.263  1.0
  Na  Na9  1  0.254  0.011  0.263  1.0
  O  O10  1  0.686  0.750  0.922  1.0
  O  O11  1  0.314  0.250  0.078  1.0
  O  O12  1  0.040  0.250  0.866  1.0
  O  O13  1  0.960  0.750  0.134  1.0
  O  O14  1  0.469  0.250  0.817  1.0
  O  O15  1  0.531  0.750  0.183  1.0
  O  O16  1  0.584  0.749  0.521  1.0
  O  O17  1  0.416  0.251  0.479  1.0
  O  O18  1  0.889  0.250  0.577  1.0
  O  O19  1  0.111  0.750  0.423  1.0
  O  O20  1  0.214  0.948  0.682  1.0
  O  O21  1  0.213  0.552  0.682  1.0
  O  O22  1  0.787  0.448  0.318  1.0
  O  O23  1  0.786  0.052  0.318  1.0
  Si  Si24  1  0.278  0.750  0.571  1.0
  Si  Si25  1  0.722  0.250  0.429  1.0
[/CIF]
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The crystal structure described by Na3MnBSiO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Mn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mn(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na3MnSiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.290
_cell_length_b   6.473
_cell_length_c   8.952
_cell_angle_alpha   89.990
_cell_angle_beta   87.425
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   306.220
_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  0.277  0.250  0.932  1.0
  B  B1  1  0.723  0.750  0.068  1.0
  Mn  Mn2  1  0.216  0.250  0.665  1.0
  Mn  Mn3  1  0.784  0.750  0.334  1.0
  Na  Na4  1  0.232  0.750  0.917  1.0
  Na  Na5  1  0.768  0.250  0.083  1.0
  Na  Na6  1  0.746  0.989  0.737  1.0
  Na  Na7  1  0.746  0.511  0.737  1.0
  Na  Na8  1  0.254  0.489  0.263  1.0
  Na  Na9  1  0.254  0.011  0.263  1.0
  O  O10  1  0.686  0.750  0.922  1.0
  O  O11  1  0.314  0.250  0.078  1.0
  O  O12  1  0.040  0.250  0.866  1.0
  O  O13  1  0.960  0.750  0.134  1.0
  O  O14  1  0.469  0.250  0.817  1.0
  O  O15  1  0.531  0.750  0.183  1.0
  O  O16  1  0.584  0.749  0.521  1.0
  O  O17  1  0.416  0.251  0.479  1.0
  O  O18  1  0.889  0.250  0.577  1.0
  O  O19  1  0.111  0.750  0.423  1.0
  O  O20  1  0.214  0.948  0.682  1.0
  O  O21  1  0.213  0.552  0.682  1.0
  O  O22  1  0.787  0.448  0.318  1.0
  O  O23  1  0.786  0.052  0.318  1.0
  Si  Si24  1  0.278  0.750  0.571  1.0
  Si  Si25  1  0.722  0.250  0.429  1.0
[/CIF]
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