The material structure described by KMgNbO3 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing MgO5 trigonal bipyramids. Nb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Mg(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1), one Mg(1), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OK4MgNb octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   3.898
_cell_length_c   6.268
_cell_angle_alpha   107.949
_cell_angle_beta   72.051
_cell_angle_gamma   90.076
_symmetry_Int_Tables_number   1
_cell_volume   85.732
_cell_formula_units_Z   1
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
  K  K0  1  0.350  0.650  0.491  1.0
  Mg  Mg1  1  0.693  0.307  0.800  1.0
  Nb  Nb2  1  0.050  0.950  0.086  1.0
  O  O3  1  0.640  0.859  0.906  1.0
  O  O4  1  0.141  0.360  0.906  1.0
  O  O5  1  0.875  0.125  0.434  1.0
[/CIF]
.
The material structure described by KMgNbO3 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing MgO5 trigonal bipyramids. Nb(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Mg(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1), one Mg(1), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OK4MgNb octahedra. The corner-sharing octahedral tilt angles are 13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.898
_cell_length_b   3.898
_cell_length_c   6.268
_cell_angle_alpha   107.949
_cell_angle_beta   72.051
_cell_angle_gamma   90.076
_symmetry_Int_Tables_number   1
_cell_volume   85.732
_cell_formula_units_Z   1
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
  K  K0  1  0.350  0.650  0.491  1.0
  Mg  Mg1  1  0.693  0.307  0.800  1.0
  Nb  Nb2  1  0.050  0.950  0.086  1.0
  O  O3  1  0.640  0.859  0.906  1.0
  O  O4  1  0.141  0.360  0.906  1.0
  O  O5  1  0.875  0.125  0.434  1.0
[/CIF]
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