The crystal structure described by La2Mo2O7 crystallizes in the orthorhombic Pnnm space group. La(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent O(4) atoms. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent La(1) and one Mo(1) atom to form distorted corner-sharing OLa3Mo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.007
_cell_length_b   6.103
_cell_length_c   12.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.063
_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  0.500  0.095  0.844  1.0
  La  La1  1  0.500  0.905  0.156  1.0
  La  La2  1  0.000  0.595  0.656  1.0
  La  La3  1  0.000  0.405  0.344  1.0
  Mo  Mo4  1  0.500  0.186  0.552  1.0
  Mo  Mo5  1  0.500  0.814  0.448  1.0
  Mo  Mo6  1  0.000  0.686  0.948  1.0
  Mo  Mo7  1  0.000  0.314  0.052  1.0
  O  O8  1  0.500  0.268  0.043  1.0
  O  O9  1  0.500  0.732  0.957  1.0
  O  O10  1  0.000  0.768  0.457  1.0
  O  O11  1  0.000  0.232  0.543  1.0
  O  O12  1  0.500  0.115  0.383  1.0
  O  O13  1  0.500  0.885  0.617  1.0
  O  O14  1  0.000  0.615  0.117  1.0
  O  O15  1  0.000  0.385  0.883  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.000  0.150  0.202  1.0
  O  O19  1  0.500  0.350  0.702  1.0
  O  O20  1  0.500  0.650  0.298  1.0
  O  O21  1  0.000  0.850  0.798  1.0
[/CIF]
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The crystal structure described by La2Mo2O7 crystallizes in the orthorhombic Pnnm space group. La(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(3), three equivalent O(2), and three equivalent O(4) atoms. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent La(1) and one Mo(1) atom to form distorted corner-sharing OLa3Mo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.007
_cell_length_b   6.103
_cell_length_c   12.392
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.063
_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  0.500  0.095  0.844  1.0
  La  La1  1  0.500  0.905  0.156  1.0
  La  La2  1  0.000  0.595  0.656  1.0
  La  La3  1  0.000  0.405  0.344  1.0
  Mo  Mo4  1  0.500  0.186  0.552  1.0
  Mo  Mo5  1  0.500  0.814  0.448  1.0
  Mo  Mo6  1  0.000  0.686  0.948  1.0
  Mo  Mo7  1  0.000  0.314  0.052  1.0
  O  O8  1  0.500  0.268  0.043  1.0
  O  O9  1  0.500  0.732  0.957  1.0
  O  O10  1  0.000  0.768  0.457  1.0
  O  O11  1  0.000  0.232  0.543  1.0
  O  O12  1  0.500  0.115  0.383  1.0
  O  O13  1  0.500  0.885  0.617  1.0
  O  O14  1  0.000  0.615  0.117  1.0
  O  O15  1  0.000  0.385  0.883  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.500  0.500  0.500  1.0
  O  O18  1  0.000  0.150  0.202  1.0
  O  O19  1  0.500  0.350  0.702  1.0
  O  O20  1  0.500  0.650  0.298  1.0
  O  O21  1  0.000  0.850  0.798  1.0
[/CIF]
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