The material described by K3MgVO4 crystallizes in the orthorhombic I222 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent V(1)O4 tetrahedra. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. V(1) is bonded to four equivalent O(1) atoms to form distorted VO4 tetrahedra that share corners with eight equivalent K(1)O4 tetrahedra. O(1) is bonded to one K(2), two equivalent K(1), one Mg(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing OK3MgV trigonal bipyramids. is represented by the CIF card [CIF]
data_K3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.822
_cell_length_b   6.822
_cell_length_c   6.822
_cell_angle_alpha   74.299
_cell_angle_beta   131.914
_cell_angle_gamma   127.057
_symmetry_Int_Tables_number   1
_cell_volume   183.822
_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  0.709  0.209  1.0
  K  K1  1  0.500  0.291  0.791  1.0
  K  K2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.587  0.925  0.842  1.0
  O  O6  1  0.917  0.075  0.662  1.0
  O  O7  1  0.083  0.746  0.158  1.0
  O  O8  1  0.413  0.254  0.338  1.0
[/CIF]
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The material described by K3MgVO4 crystallizes in the orthorhombic I222 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1) atoms to form distorted KO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent V(1)O4 tetrahedra. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. V(1) is bonded to four equivalent O(1) atoms to form distorted VO4 tetrahedra that share corners with eight equivalent K(1)O4 tetrahedra. O(1) is bonded to one K(2), two equivalent K(1), one Mg(1), and one V(1) atom to form a mixture of distorted corner and edge-sharing OK3MgV trigonal bipyramids. is represented by the CIF card [CIF]
data_K3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.822
_cell_length_b   6.822
_cell_length_c   6.822
_cell_angle_alpha   74.299
_cell_angle_beta   131.914
_cell_angle_gamma   127.057
_symmetry_Int_Tables_number   1
_cell_volume   183.822
_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  0.709  0.209  1.0
  K  K1  1  0.500  0.291  0.791  1.0
  K  K2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.587  0.925  0.842  1.0
  O  O6  1  0.917  0.075  0.662  1.0
  O  O7  1  0.083  0.746  0.158  1.0
  O  O8  1  0.413  0.254  0.338  1.0
[/CIF]
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