The crystal structure described by La2MoO6 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent La(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Mo(1) atom. In the third O site, O(3) is bonded to three equivalent La(1) and one Mo(1) atom to form a mixture of distorted edge and corner-sharing OLa3Mo trigonal pyramids. is represented by the CIF card [CIF]
data_La2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   5.642
_cell_length_c   9.371
_cell_angle_alpha   58.161
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.531
_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
  La  La0  1  0.583  0.789  0.244  1.0
  La  La1  1  0.083  0.211  0.256  1.0
  La  La2  1  0.917  0.789  0.744  1.0
  La  La3  1  0.417  0.211  0.756  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.067  0.419  0.723  1.0
  O  O7  1  0.264  0.720  0.417  1.0
  O  O8  1  0.346  0.164  0.050  1.0
  O  O9  1  0.846  0.836  0.450  1.0
  O  O10  1  0.764  0.280  0.083  1.0
  O  O11  1  0.567  0.581  0.777  1.0
  O  O12  1  0.933  0.581  0.277  1.0
  O  O13  1  0.736  0.280  0.583  1.0
  O  O14  1  0.654  0.836  0.950  1.0
  O  O15  1  0.154  0.164  0.550  1.0
  O  O16  1  0.236  0.720  0.917  1.0
  O  O17  1  0.433  0.419  0.223  1.0
[/CIF]
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The crystal structure described by La2MoO6 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent La(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Mo(1) atom. In the third O site, O(3) is bonded to three equivalent La(1) and one Mo(1) atom to form a mixture of distorted edge and corner-sharing OLa3Mo trigonal pyramids. is represented by the CIF card [CIF]
data_La2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   5.642
_cell_length_c   9.371
_cell_angle_alpha   58.161
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.531
_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
  La  La0  1  0.583  0.789  0.244  1.0
  La  La1  1  0.083  0.211  0.256  1.0
  La  La2  1  0.917  0.789  0.744  1.0
  La  La3  1  0.417  0.211  0.756  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.067  0.419  0.723  1.0
  O  O7  1  0.264  0.720  0.417  1.0
  O  O8  1  0.346  0.164  0.050  1.0
  O  O9  1  0.846  0.836  0.450  1.0
  O  O10  1  0.764  0.280  0.083  1.0
  O  O11  1  0.567  0.581  0.777  1.0
  O  O12  1  0.933  0.581  0.277  1.0
  O  O13  1  0.736  0.280  0.583  1.0
  O  O14  1  0.654  0.836  0.950  1.0
  O  O15  1  0.154  0.164  0.550  1.0
  O  O16  1  0.236  0.720  0.917  1.0
  O  O17  1  0.433  0.419  0.223  1.0
[/CIF]
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