The compound described by MgLa4(MoO6)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Mo(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded to one La(2), two equivalent La(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OLa3Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(1) atom. is represented by the CIF file [CIF]
data_La4Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.932
_cell_length_c   8.020
_cell_angle_alpha   88.891
_cell_angle_beta   92.235
_cell_angle_gamma   89.134
_symmetry_Int_Tables_number   1
_cell_volume   268.437
_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
  La  La0  1  0.509  0.071  0.735  1.0
  La  La1  1  0.960  0.565  0.742  1.0
  La  La2  1  0.491  0.929  0.265  1.0
  La  La3  1  0.040  0.435  0.258  1.0
  Mg  Mg4  1  1.000  0.000  1.000  1.0
  Mo  Mo5  1  0.500  0.500  1.000  1.0
  Mo  Mo6  1  1.000  0.000  0.500  1.0
  O  O7  1  0.900  0.037  0.250  1.0
  O  O8  1  0.839  0.278  0.549  1.0
  O  O9  1  0.785  0.298  0.938  1.0
  O  O10  1  0.703  0.831  0.549  1.0
  O  O11  1  0.695  0.784  0.933  1.0
  O  O12  1  0.623  0.532  0.223  1.0
  O  O13  1  0.100  0.963  0.750  1.0
  O  O14  1  0.161  0.722  0.451  1.0
  O  O15  1  0.215  0.702  0.062  1.0
  O  O16  1  0.377  0.468  0.777  1.0
  O  O17  1  0.305  0.216  0.067  1.0
  O  O18  1  0.297  0.169  0.451  1.0
[/CIF]
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The compound described by MgLa4(MoO6)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Mo(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded to one La(2), two equivalent La(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OLa3Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(1) atom. is represented by the CIF file [CIF]
data_La4Mg(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.648
_cell_length_b   5.932
_cell_length_c   8.020
_cell_angle_alpha   88.891
_cell_angle_beta   92.235
_cell_angle_gamma   89.134
_symmetry_Int_Tables_number   1
_cell_volume   268.437
_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
  La  La0  1  0.509  0.071  0.735  1.0
  La  La1  1  0.960  0.565  0.742  1.0
  La  La2  1  0.491  0.929  0.265  1.0
  La  La3  1  0.040  0.435  0.258  1.0
  Mg  Mg4  1  1.000  0.000  1.000  1.0
  Mo  Mo5  1  0.500  0.500  1.000  1.0
  Mo  Mo6  1  1.000  0.000  0.500  1.0
  O  O7  1  0.900  0.037  0.250  1.0
  O  O8  1  0.839  0.278  0.549  1.0
  O  O9  1  0.785  0.298  0.938  1.0
  O  O10  1  0.703  0.831  0.549  1.0
  O  O11  1  0.695  0.784  0.933  1.0
  O  O12  1  0.623  0.532  0.223  1.0
  O  O13  1  0.100  0.963  0.750  1.0
  O  O14  1  0.161  0.722  0.451  1.0
  O  O15  1  0.215  0.702  0.062  1.0
  O  O16  1  0.377  0.468  0.777  1.0
  O  O17  1  0.305  0.216  0.067  1.0
  O  O18  1  0.297  0.169  0.451  1.0
[/CIF]
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