The material structure described by NaMgBO3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent O(2), and six equivalent O(1) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form face-sharing MgO6 octahedra. B(1) is bonded in a trigonal planar geometry to two equivalent Na(1), one O(2), and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), two equivalent Mg(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NaMgBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.112
_cell_length_c   5.592
_cell_angle_alpha   85.401
_cell_angle_beta   85.401
_cell_angle_gamma   120.601
_symmetry_Int_Tables_number   1
_cell_volume   124.095
_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
  Na  Na0  1  0.665  0.335  0.750  1.0
  Na  Na1  1  0.335  0.665  0.250  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  B  B4  1  0.333  0.667  0.750  1.0
  B  B5  1  0.667  0.333  0.250  1.0
  O  O6  1  0.814  0.635  0.296  1.0
  O  O7  1  0.176  0.824  0.750  1.0
  O  O8  1  0.365  0.186  0.204  1.0
  O  O9  1  0.635  0.814  0.796  1.0
  O  O10  1  0.824  0.176  0.250  1.0
  O  O11  1  0.186  0.365  0.704  1.0
[/CIF]
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The material structure described by NaMgBO3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent O(2), and six equivalent O(1) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form face-sharing MgO6 octahedra. B(1) is bonded in a trigonal planar geometry to two equivalent Na(1), one O(2), and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), two equivalent Mg(1), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NaMgBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   5.112
_cell_length_c   5.592
_cell_angle_alpha   85.401
_cell_angle_beta   85.401
_cell_angle_gamma   120.601
_symmetry_Int_Tables_number   1
_cell_volume   124.095
_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
  Na  Na0  1  0.665  0.335  0.750  1.0
  Na  Na1  1  0.335  0.665  0.250  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  B  B4  1  0.333  0.667  0.750  1.0
  B  B5  1  0.667  0.333  0.250  1.0
  O  O6  1  0.814  0.635  0.296  1.0
  O  O7  1  0.176  0.824  0.750  1.0
  O  O8  1  0.365  0.186  0.204  1.0
  O  O9  1  0.635  0.814  0.796  1.0
  O  O10  1  0.824  0.176  0.250  1.0
  O  O11  1  0.186  0.365  0.704  1.0
[/CIF]
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