The compound described by KMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. K(1) is bonded to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Al(1)O6 octahedra. Mg(1) is bonded in a single-bond geometry to one O(4) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. In the second Mo site, Mo(2) is bonded to one O(4) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 12°. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one Al(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to three equivalent K(1), one Mg(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_KMgAl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.551
_cell_length_c   6.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   184.299
_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  0.499  1.0
  Mg  Mg1  1  0.667  0.333  0.162  1.0
  Al  Al2  1  0.000  0.000  0.015  1.0
  Mo  Mo3  1  0.333  0.667  0.299  1.0
  Mo  Mo4  1  0.667  0.333  0.719  1.0
  O  O5  1  0.331  0.165  0.834  1.0
  O  O6  1  0.835  0.165  0.834  1.0
  O  O7  1  0.835  0.669  0.834  1.0
  O  O8  1  0.157  0.843  0.159  1.0
  O  O9  1  0.333  0.667  0.562  1.0
  O  O10  1  0.667  0.333  0.450  1.0
  O  O11  1  0.157  0.315  0.159  1.0
  O  O12  1  0.685  0.843  0.159  1.0
[/CIF]
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The compound described by KMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. K(1) is bonded to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra, edges with three equivalent Mo(1)O4 tetrahedra, edges with three equivalent Mo(2)O4 tetrahedra, and faces with two equivalent Al(1)O6 octahedra. Mg(1) is bonded in a single-bond geometry to one O(4) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. In the second Mo site, Mo(2) is bonded to one O(4) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and edges with three equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 12°. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and faces with two equivalent K(1)O12 cuboctahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one Al(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Mo(1), and one Al(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to three equivalent K(1), one Mg(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_KMgAl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.551
_cell_length_c   6.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   184.299
_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  0.499  1.0
  Mg  Mg1  1  0.667  0.333  0.162  1.0
  Al  Al2  1  0.000  0.000  0.015  1.0
  Mo  Mo3  1  0.333  0.667  0.299  1.0
  Mo  Mo4  1  0.667  0.333  0.719  1.0
  O  O5  1  0.331  0.165  0.834  1.0
  O  O6  1  0.835  0.165  0.834  1.0
  O  O7  1  0.835  0.669  0.834  1.0
  O  O8  1  0.157  0.843  0.159  1.0
  O  O9  1  0.333  0.667  0.562  1.0
  O  O10  1  0.667  0.333  0.450  1.0
  O  O11  1  0.157  0.315  0.159  1.0
  O  O12  1  0.685  0.843  0.159  1.0
[/CIF]
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