The material structure described by BaBiO2NO3 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted edge-sharing BiO4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBa2Bi2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBa2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one N(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ba(1) and one N(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(2) atom. is represented by the CIF file [CIF]
data_BaBiNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   6.227
_cell_angle_alpha   89.889
_cell_angle_beta   89.889
_cell_angle_gamma   138.794
_symmetry_Int_Tables_number   1
_cell_volume   290.333
_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
  Ba  Ba0  1  0.856  0.165  0.996  1.0
  Ba  Ba1  1  0.165  0.856  0.996  1.0
  Bi  Bi2  1  0.694  0.315  0.496  1.0
  Bi  Bi3  1  0.315  0.694  0.496  1.0
  N  N4  1  0.994  0.994  0.507  1.0
  N  N5  1  0.493  0.493  0.007  1.0
  O  O6  1  0.504  0.005  0.276  1.0
  O  O7  1  0.004  0.505  0.718  1.0
  O  O8  1  0.505  0.004  0.718  1.0
  O  O9  1  0.005  0.504  0.276  1.0
  O  O10  1  0.984  0.984  0.711  1.0
  O  O11  1  0.069  0.929  0.408  1.0
  O  O12  1  0.929  0.069  0.408  1.0
  O  O13  1  0.666  0.526  0.001  1.0
  O  O14  1  0.526  0.666  0.001  1.0
  O  O15  1  0.279  0.279  0.019  1.0
[/CIF]
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The material structure described by BaBiO2NO3 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted edge-sharing BiO4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBa2Bi2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBa2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one N(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ba(1) and one N(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one N(2) atom. is represented by the CIF file [CIF]
data_BaBiNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   6.227
_cell_angle_alpha   89.889
_cell_angle_beta   89.889
_cell_angle_gamma   138.794
_symmetry_Int_Tables_number   1
_cell_volume   290.333
_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
  Ba  Ba0  1  0.856  0.165  0.996  1.0
  Ba  Ba1  1  0.165  0.856  0.996  1.0
  Bi  Bi2  1  0.694  0.315  0.496  1.0
  Bi  Bi3  1  0.315  0.694  0.496  1.0
  N  N4  1  0.994  0.994  0.507  1.0
  N  N5  1  0.493  0.493  0.007  1.0
  O  O6  1  0.504  0.005  0.276  1.0
  O  O7  1  0.004  0.505  0.718  1.0
  O  O8  1  0.505  0.004  0.718  1.0
  O  O9  1  0.005  0.504  0.276  1.0
  O  O10  1  0.984  0.984  0.711  1.0
  O  O11  1  0.069  0.929  0.408  1.0
  O  O12  1  0.929  0.069  0.408  1.0
  O  O13  1  0.666  0.526  0.001  1.0
  O  O14  1  0.526  0.666  0.001  1.0
  O  O15  1  0.279  0.279  0.019  1.0
[/CIF]
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