The crystal structure described by La2MoO6 crystallizes in the tetragonal I-42m space group. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share corners with four equivalent La(1)O6 pentagonal pyramids, corners with two equivalent Mo(1)O4 tetrahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent La(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(1) is bonded in a linear geometry to one La(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_La2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   8.707
_cell_angle_alpha   151.293
_cell_angle_beta   151.293
_cell_angle_gamma   41.047
_symmetry_Int_Tables_number   1
_cell_volume   151.976
_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  0.680  0.680  0.000  1.0
  La  La1  1  0.320  0.320  0.000  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.300  0.834  0.000  1.0
  O  O4  1  0.700  0.700  0.534  1.0
  O  O5  1  0.834  0.300  0.000  1.0
  O  O6  1  0.166  0.166  0.466  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.250  0.750  0.500  1.0
[/CIF]
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The crystal structure described by La2MoO6 crystallizes in the tetragonal I-42m space group. La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LaO6 pentagonal pyramids that share corners with four equivalent La(1)O6 pentagonal pyramids, corners with two equivalent Mo(1)O4 tetrahedra, and edges with four equivalent La(1)O6 pentagonal pyramids. Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent La(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(1) is bonded in a linear geometry to one La(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_La2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   8.707
_cell_angle_alpha   151.293
_cell_angle_beta   151.293
_cell_angle_gamma   41.047
_symmetry_Int_Tables_number   1
_cell_volume   151.976
_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  0.680  0.680  0.000  1.0
  La  La1  1  0.320  0.320  0.000  1.0
  Mo  Mo2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.300  0.834  0.000  1.0
  O  O4  1  0.700  0.700  0.534  1.0
  O  O5  1  0.834  0.300  0.000  1.0
  O  O6  1  0.166  0.166  0.466  1.0
  O  O7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.250  0.750  0.500  1.0
[/CIF]
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