The crystal structure described by NaCoBO3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing CoO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Na(1), two equivalent Co(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NaCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.103
_cell_length_c   5.681
_cell_angle_alpha   85.608
_cell_angle_beta   81.091
_cell_angle_gamma   60.411
_symmetry_Int_Tables_number   1
_cell_volume   125.498
_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  0.332  0.335  0.750  1.0
  B  B1  1  0.668  0.665  0.250  1.0
  Co  Co2  1  1.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  1.000  1.0
  Na  Na4  1  0.664  0.672  0.750  1.0
  Na  Na5  1  0.336  0.328  0.250  1.0
  O  O6  1  0.176  0.648  0.750  1.0
  O  O7  1  0.824  0.352  0.250  1.0
  O  O8  1  0.188  0.180  0.699  1.0
  O  O9  1  0.633  0.180  0.801  1.0
  O  O10  1  0.367  0.820  0.199  1.0
  O  O11  1  0.812  0.820  0.301  1.0
[/CIF]
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The crystal structure described by NaCoBO3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form face-sharing CoO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Co(1), and one B(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Na(1), two equivalent Co(1), and one B(1) atom. is represented by the CIF card [CIF]
data_NaCoBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.103
_cell_length_c   5.681
_cell_angle_alpha   85.608
_cell_angle_beta   81.091
_cell_angle_gamma   60.411
_symmetry_Int_Tables_number   1
_cell_volume   125.498
_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  0.332  0.335  0.750  1.0
  B  B1  1  0.668  0.665  0.250  1.0
  Co  Co2  1  1.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  1.000  1.0
  Na  Na4  1  0.664  0.672  0.750  1.0
  Na  Na5  1  0.336  0.328  0.250  1.0
  O  O6  1  0.176  0.648  0.750  1.0
  O  O7  1  0.824  0.352  0.250  1.0
  O  O8  1  0.188  0.180  0.699  1.0
  O  O9  1  0.633  0.180  0.801  1.0
  O  O10  1  0.367  0.820  0.199  1.0
  O  O11  1  0.812  0.820  0.301  1.0
[/CIF]
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