The material described by K3NaMgCr2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Na(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Na(1), one Mg(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one K(2) and one Cr(1) atom. is represented by the CIF card [CIF]
data_K3NaMgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.833
_cell_length_c   7.381
_cell_angle_alpha   83.379
_cell_angle_beta   90.000
_cell_angle_gamma   116.571
_symmetry_Int_Tables_number   1
_cell_volume   273.479
_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  0.000  0.000  0.500  1.0
  K  K1  1  0.735  0.471  0.164  1.0
  K  K2  1  0.265  0.529  0.836  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.673  0.347  0.720  1.0
  Cr  Cr6  1  0.327  0.653  0.280  1.0
  O  O7  1  0.383  0.193  0.850  1.0
  O  O8  1  0.810  0.193  0.850  1.0
  O  O9  1  0.805  0.609  0.769  1.0
  O  O10  1  0.190  0.807  0.150  1.0
  O  O11  1  0.617  0.807  0.150  1.0
  O  O12  1  0.195  0.391  0.231  1.0
  O  O13  1  0.351  0.701  0.496  1.0
  O  O14  1  0.649  0.299  0.504  1.0
[/CIF]
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The material described by K3NaMgCr2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Na(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one Na(1), one Mg(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one K(2) and one Cr(1) atom. is represented by the CIF card [CIF]
data_K3NaMgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.113
_cell_length_b   6.833
_cell_length_c   7.381
_cell_angle_alpha   83.379
_cell_angle_beta   90.000
_cell_angle_gamma   116.571
_symmetry_Int_Tables_number   1
_cell_volume   273.479
_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  0.000  0.000  0.500  1.0
  K  K1  1  0.735  0.471  0.164  1.0
  K  K2  1  0.265  0.529  0.836  1.0
  Na  Na3  1  0.000  0.000  0.000  1.0
  Mg  Mg4  1  0.500  0.000  0.000  1.0
  Cr  Cr5  1  0.673  0.347  0.720  1.0
  Cr  Cr6  1  0.327  0.653  0.280  1.0
  O  O7  1  0.383  0.193  0.850  1.0
  O  O8  1  0.810  0.193  0.850  1.0
  O  O9  1  0.805  0.609  0.769  1.0
  O  O10  1  0.190  0.807  0.150  1.0
  O  O11  1  0.617  0.807  0.150  1.0
  O  O12  1  0.195  0.391  0.231  1.0
  O  O13  1  0.351  0.701  0.496  1.0
  O  O14  1  0.649  0.299  0.504  1.0
[/CIF]
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