The compound described by KMgNbO3 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmm2 space group. K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Mg(1), and two equivalent Nb(1) atoms to form distorted corner-sharing OK2Mg2Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_KMgNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.515
_cell_length_b   4.251
_cell_length_c   4.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.529
_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  0.500  0.500  0.692  1.0
  Mg  Mg1  1  0.000  0.500  0.394  1.0
  Nb  Nb2  1  0.000  0.000  0.956  1.0
  O  O3  1  0.500  0.000  0.984  1.0
  O  O4  1  0.000  0.500  0.932  1.0
  O  O5  1  0.000  0.000  0.461  1.0
[/CIF]
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The compound described by KMgNbO3 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmm2 space group. K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Mg(1), and two equivalent Nb(1) atoms to form distorted corner-sharing OK2Mg2Nb2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_KMgNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.515
_cell_length_b   4.251
_cell_length_c   4.352
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.529
_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  0.500  0.500  0.692  1.0
  Mg  Mg1  1  0.000  0.500  0.394  1.0
  Nb  Nb2  1  0.000  0.000  0.956  1.0
  O  O3  1  0.500  0.000  0.984  1.0
  O  O4  1  0.000  0.500  0.932  1.0
  O  O5  1  0.000  0.000  0.461  1.0
[/CIF]
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