The material structure described by KMgIn(MoO4)3 crystallizes in the trigonal R3c space group. K(1) is bonded in a hexagonal planar geometry to three equivalent O(2) and three equivalent O(3) atoms. Mg(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-34°. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one In(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgIn(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.970
_cell_length_b   9.970
_cell_length_c   9.970
_cell_angle_alpha   58.219
_cell_angle_beta   58.219
_cell_angle_gamma   58.219
_symmetry_Int_Tables_number   1
_cell_volume   672.200
_cell_formula_units_Z   2
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  0.501  0.501  0.501  1.0
  K  K1  1  0.001  0.001  0.001  1.0
  Mg  Mg2  1  0.144  0.144  0.144  1.0
  Mg  Mg3  1  0.644  0.644  0.644  1.0
  In  In4  1  0.356  0.356  0.356  1.0
  In  In5  1  0.856  0.856  0.856  1.0
  Mo  Mo6  1  0.034  0.461  0.752  1.0
  Mo  Mo7  1  0.461  0.752  0.034  1.0
  Mo  Mo8  1  0.252  0.961  0.534  1.0
  Mo  Mo9  1  0.752  0.034  0.461  1.0
  Mo  Mo10  1  0.534  0.252  0.961  1.0
  Mo  Mo11  1  0.961  0.534  0.252  1.0
  O  O12  1  0.007  0.640  0.779  1.0
  O  O13  1  0.140  0.507  0.279  1.0
  O  O14  1  0.063  0.277  0.933  1.0
  O  O15  1  0.435  0.572  0.224  1.0
  O  O16  1  0.277  0.933  0.063  1.0
  O  O17  1  0.072  0.935  0.724  1.0
  O  O18  1  0.496  0.720  0.857  1.0
  O  O19  1  0.640  0.779  0.007  1.0
  O  O20  1  0.224  0.435  0.572  1.0
  O  O21  1  0.279  0.140  0.507  1.0
  O  O22  1  0.220  0.996  0.357  1.0
  O  O23  1  0.433  0.777  0.563  1.0
  O  O24  1  0.572  0.224  0.435  1.0
  O  O25  1  0.779  0.007  0.640  1.0
  O  O26  1  0.720  0.857  0.496  1.0
  O  O27  1  0.777  0.563  0.433  1.0
  O  O28  1  0.357  0.220  0.996  1.0
  O  O29  1  0.507  0.279  0.140  1.0
  O  O30  1  0.933  0.063  0.277  1.0
  O  O31  1  0.724  0.072  0.935  1.0
  O  O32  1  0.563  0.433  0.777  1.0
  O  O33  1  0.935  0.724  0.072  1.0
  O  O34  1  0.857  0.496  0.720  1.0
  O  O35  1  0.996  0.357  0.220  1.0
[/CIF]
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The material structure described by KMgIn(MoO4)3 crystallizes in the trigonal R3c space group. K(1) is bonded in a hexagonal planar geometry to three equivalent O(2) and three equivalent O(3) atoms. Mg(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-34°. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one In(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one In(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgIn(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.970
_cell_length_b   9.970
_cell_length_c   9.970
_cell_angle_alpha   58.219
_cell_angle_beta   58.219
_cell_angle_gamma   58.219
_symmetry_Int_Tables_number   1
_cell_volume   672.200
_cell_formula_units_Z   2
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  0.501  0.501  0.501  1.0
  K  K1  1  0.001  0.001  0.001  1.0
  Mg  Mg2  1  0.144  0.144  0.144  1.0
  Mg  Mg3  1  0.644  0.644  0.644  1.0
  In  In4  1  0.356  0.356  0.356  1.0
  In  In5  1  0.856  0.856  0.856  1.0
  Mo  Mo6  1  0.034  0.461  0.752  1.0
  Mo  Mo7  1  0.461  0.752  0.034  1.0
  Mo  Mo8  1  0.252  0.961  0.534  1.0
  Mo  Mo9  1  0.752  0.034  0.461  1.0
  Mo  Mo10  1  0.534  0.252  0.961  1.0
  Mo  Mo11  1  0.961  0.534  0.252  1.0
  O  O12  1  0.007  0.640  0.779  1.0
  O  O13  1  0.140  0.507  0.279  1.0
  O  O14  1  0.063  0.277  0.933  1.0
  O  O15  1  0.435  0.572  0.224  1.0
  O  O16  1  0.277  0.933  0.063  1.0
  O  O17  1  0.072  0.935  0.724  1.0
  O  O18  1  0.496  0.720  0.857  1.0
  O  O19  1  0.640  0.779  0.007  1.0
  O  O20  1  0.224  0.435  0.572  1.0
  O  O21  1  0.279  0.140  0.507  1.0
  O  O22  1  0.220  0.996  0.357  1.0
  O  O23  1  0.433  0.777  0.563  1.0
  O  O24  1  0.572  0.224  0.435  1.0
  O  O25  1  0.779  0.007  0.640  1.0
  O  O26  1  0.720  0.857  0.496  1.0
  O  O27  1  0.777  0.563  0.433  1.0
  O  O28  1  0.357  0.220  0.996  1.0
  O  O29  1  0.507  0.279  0.140  1.0
  O  O30  1  0.933  0.063  0.277  1.0
  O  O31  1  0.724  0.072  0.935  1.0
  O  O32  1  0.563  0.433  0.777  1.0
  O  O33  1  0.935  0.724  0.072  1.0
  O  O34  1  0.857  0.496  0.720  1.0
  O  O35  1  0.996  0.357  0.220  1.0
[/CIF]
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