The material structure described by K6MgCr2O8 crystallizes in the orthorhombic P222 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form KO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent K(2)O4 tetrahedra. In the second K site, K(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted KO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent K(1)O4 tetrahedra. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent O(2) atoms to form distorted CrO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one Cr(2) atom. In the second O site, O(2) is bonded to one K(1), one K(2), one K(4), one Mg(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OK3MgCr trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   10.625
_cell_length_c   5.964
_cell_angle_alpha   90.000
_cell_angle_beta   89.991
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.860
_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  0.236  0.500  1.0
  K  K1  1  0.500  0.712  0.000  1.0
  K  K2  1  0.500  0.288  0.000  1.0
  K  K3  1  0.000  0.764  0.500  1.0
  K  K4  1  0.000  0.500  0.000  1.0
  K  K5  1  0.500  1.000  0.500  1.0
  Mg  Mg6  1  0.500  1.000  0.000  1.0
  Cr  Cr7  1  0.000  1.000  0.000  1.0
  Cr  Cr8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.312  0.589  0.671  1.0
  O  O10  1  0.754  0.093  0.162  1.0
  O  O11  1  0.754  0.907  0.838  1.0
  O  O12  1  0.312  0.411  0.329  1.0
  O  O13  1  0.688  0.411  0.671  1.0
  O  O14  1  0.246  0.907  0.162  1.0
  O  O15  1  0.246  0.093  0.838  1.0
  O  O16  1  0.688  0.589  0.329  1.0
[/CIF]
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The material structure described by K6MgCr2O8 crystallizes in the orthorhombic P222 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form KO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent K(2)O4 tetrahedra. In the second K site, K(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted KO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and corners with four equivalent K(1)O4 tetrahedra. In the third K site, K(3) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent O(2) atoms to form distorted CrO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to four equivalent O(1) atoms to form CrO4 tetrahedra that share corners with four equivalent K(1)O4 tetrahedra and corners with four equivalent K(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one Cr(2) atom. In the second O site, O(2) is bonded to one K(1), one K(2), one K(4), one Mg(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OK3MgCr trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K6MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   10.625
_cell_length_c   5.964
_cell_angle_alpha   90.000
_cell_angle_beta   89.991
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.860
_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  0.236  0.500  1.0
  K  K1  1  0.500  0.712  0.000  1.0
  K  K2  1  0.500  0.288  0.000  1.0
  K  K3  1  0.000  0.764  0.500  1.0
  K  K4  1  0.000  0.500  0.000  1.0
  K  K5  1  0.500  1.000  0.500  1.0
  Mg  Mg6  1  0.500  1.000  0.000  1.0
  Cr  Cr7  1  0.000  1.000  0.000  1.0
  Cr  Cr8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.312  0.589  0.671  1.0
  O  O10  1  0.754  0.093  0.162  1.0
  O  O11  1  0.754  0.907  0.838  1.0
  O  O12  1  0.312  0.411  0.329  1.0
  O  O13  1  0.688  0.411  0.671  1.0
  O  O14  1  0.246  0.907  0.162  1.0
  O  O15  1  0.246  0.093  0.838  1.0
  O  O16  1  0.688  0.589  0.329  1.0
[/CIF]
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