The crystal structure described by NaBrO3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(7) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one Br(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one O(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(11) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one O(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one O(10) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one Br(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Br(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one O(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one O(7) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one O(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one O(12) atom. is represented by the CIF card [CIF]
data_NaBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.537
_cell_length_b   7.749
_cell_length_c   7.387
_cell_angle_alpha   89.950
_cell_angle_beta   89.696
_cell_angle_gamma   89.810
_symmetry_Int_Tables_number   1
_cell_volume   431.454
_cell_formula_units_Z   4
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  0.629  0.461  0.899  1.0
  Na  Na1  1  0.370  0.962  0.602  1.0
  Na  Na2  1  0.870  0.540  0.397  1.0
  Na  Na3  1  0.130  0.039  0.103  1.0
  Br  Br4  1  0.136  0.646  0.881  1.0
  Br  Br5  1  0.366  0.352  0.381  1.0
  Br  Br6  1  0.867  0.148  0.617  1.0
  Br  Br7  1  0.634  0.854  0.120  1.0
  O  O8  1  0.282  0.137  0.362  1.0
  O  O9  1  0.973  0.330  0.160  1.0
  O  O10  1  0.896  0.291  0.014  1.0
  O  O11  1  0.400  0.206  0.989  1.0
  O  O12  1  0.101  0.795  0.489  1.0
  O  O13  1  0.594  0.700  0.507  1.0
  O  O14  1  0.218  0.863  0.863  1.0
  O  O15  1  0.783  0.363  0.637  1.0
  O  O16  1  0.026  0.829  0.339  1.0
  O  O17  1  0.531  0.675  0.665  1.0
  O  O18  1  0.474  0.171  0.838  1.0
  O  O19  1  0.720  0.638  0.135  1.0
[/CIF]
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The crystal structure described by NaBrO3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(7) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one Br(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one O(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(4), and one O(11) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one O(9) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Na(3), and one O(10) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one Na(4), and one Br(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Br(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one O(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Na(1), one Na(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one O(7) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one O(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one O(12) atom. is represented by the CIF card [CIF]
data_NaBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.537
_cell_length_b   7.749
_cell_length_c   7.387
_cell_angle_alpha   89.950
_cell_angle_beta   89.696
_cell_angle_gamma   89.810
_symmetry_Int_Tables_number   1
_cell_volume   431.454
_cell_formula_units_Z   4
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  0.629  0.461  0.899  1.0
  Na  Na1  1  0.370  0.962  0.602  1.0
  Na  Na2  1  0.870  0.540  0.397  1.0
  Na  Na3  1  0.130  0.039  0.103  1.0
  Br  Br4  1  0.136  0.646  0.881  1.0
  Br  Br5  1  0.366  0.352  0.381  1.0
  Br  Br6  1  0.867  0.148  0.617  1.0
  Br  Br7  1  0.634  0.854  0.120  1.0
  O  O8  1  0.282  0.137  0.362  1.0
  O  O9  1  0.973  0.330  0.160  1.0
  O  O10  1  0.896  0.291  0.014  1.0
  O  O11  1  0.400  0.206  0.989  1.0
  O  O12  1  0.101  0.795  0.489  1.0
  O  O13  1  0.594  0.700  0.507  1.0
  O  O14  1  0.218  0.863  0.863  1.0
  O  O15  1  0.783  0.363  0.637  1.0
  O  O16  1  0.026  0.829  0.339  1.0
  O  O17  1  0.531  0.675  0.665  1.0
  O  O18  1  0.474  0.171  0.838  1.0
  O  O19  1  0.720  0.638  0.135  1.0
[/CIF]
.