The material structure described by CsMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a single-bond geometry to one O(1) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1) and three equivalent O(3) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(4) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent Cs(1), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(2) and one Al(1) atom. is represented by the CIF file [CIF]
data_CsMgAl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.674
_cell_length_b   5.674
_cell_length_c   8.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.066
_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
  Cs  Cs0  1  0.000  0.000  0.966  1.0
  Mg  Mg1  1  0.333  0.667  0.155  1.0
  Al  Al2  1  0.000  0.000  0.506  1.0
  Mo  Mo3  1  0.333  0.667  0.698  1.0
  Mo  Mo4  1  0.667  0.333  0.315  1.0
  O  O5  1  0.333  0.667  0.905  1.0
  O  O6  1  0.667  0.333  0.112  1.0
  O  O7  1  0.158  0.315  0.640  1.0
  O  O8  1  0.685  0.842  0.640  1.0
  O  O9  1  0.158  0.842  0.640  1.0
  O  O10  1  0.840  0.680  0.388  1.0
  O  O11  1  0.840  0.160  0.388  1.0
  O  O12  1  0.320  0.160  0.388  1.0
[/CIF]
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The material structure described by CsMgAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Cs(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a single-bond geometry to one O(1) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1) and three equivalent O(3) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Mo site, Mo(2) is bonded to one O(2) and three equivalent O(4) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Al(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to three equivalent Cs(1), one Mg(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one Al(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(2) and one Al(1) atom. is represented by the CIF file [CIF]
data_CsMgAl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.674
_cell_length_b   5.674
_cell_length_c   8.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.066
_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
  Cs  Cs0  1  0.000  0.000  0.966  1.0
  Mg  Mg1  1  0.333  0.667  0.155  1.0
  Al  Al2  1  0.000  0.000  0.506  1.0
  Mo  Mo3  1  0.333  0.667  0.698  1.0
  Mo  Mo4  1  0.667  0.333  0.315  1.0
  O  O5  1  0.333  0.667  0.905  1.0
  O  O6  1  0.667  0.333  0.112  1.0
  O  O7  1  0.158  0.315  0.640  1.0
  O  O8  1  0.685  0.842  0.640  1.0
  O  O9  1  0.158  0.842  0.640  1.0
  O  O10  1  0.840  0.680  0.388  1.0
  O  O11  1  0.840  0.160  0.388  1.0
  O  O12  1  0.320  0.160  0.388  1.0
[/CIF]
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