The crystal structure described by La3MoO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 36-39°. Mo(1) 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 Mo(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with six equivalent O(3)La4 tetrahedra, corners with four equivalent O(1)La3Mo trigonal pyramids,  an edgeedge with one O(3)La4 tetrahedra, and edges with two equivalent O(1)La3Mo trigonal pyramids. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Mo(1) atoms. In the third O site, O(1) is bonded to one La(1), two equivalent La(2), and one Mo(1) atom to form distorted OLa3Mo trigonal pyramids that share corners with four equivalent O(3)La4 tetrahedra, edges with two equivalent O(3)La4 tetrahedra, and edges with two equivalent O(1)La3Mo trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_La3MoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   7.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.771
_symmetry_Int_Tables_number   1
_cell_volume   330.595
_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  0.000  0.500  0.500  1.0
  La  La1  1  0.000  0.500  1.000  1.0
  La  La2  1  0.527  0.576  0.750  1.0
  La  La3  1  0.473  0.424  0.250  1.0
  La  La4  1  0.924  0.973  0.250  1.0
  La  La5  1  0.076  0.027  0.750  1.0
  Mo  Mo6  1  0.500  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.439  0.689  0.465  1.0
  O  O9  1  0.561  0.311  0.965  1.0
  O  O10  1  0.811  0.061  0.535  1.0
  O  O11  1  0.189  0.939  0.035  1.0
  O  O12  1  0.561  0.311  0.535  1.0
  O  O13  1  0.439  0.689  0.035  1.0
  O  O14  1  0.189  0.939  0.465  1.0
  O  O15  1  0.811  0.061  0.965  1.0
  O  O16  1  0.156  0.396  0.750  1.0
  O  O17  1  0.844  0.604  0.250  1.0
  O  O18  1  0.104  0.344  0.250  1.0
  O  O19  1  0.896  0.656  0.750  1.0
  O  O20  1  0.439  0.939  0.750  1.0
  O  O21  1  0.561  0.061  0.250  1.0
[/CIF]
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The crystal structure described by La3MoO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second La site, La(2) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 36-39°. Mo(1) 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 Mo(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 27°. There are four inequivalent O sites. In the first O site, O(3) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with six equivalent O(3)La4 tetrahedra, corners with four equivalent O(1)La3Mo trigonal pyramids,  an edgeedge with one O(3)La4 tetrahedra, and edges with two equivalent O(1)La3Mo trigonal pyramids. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Mo(1) atoms. In the third O site, O(1) is bonded to one La(1), two equivalent La(2), and one Mo(1) atom to form distorted OLa3Mo trigonal pyramids that share corners with four equivalent O(3)La4 tetrahedra, edges with two equivalent O(3)La4 tetrahedra, and edges with two equivalent O(1)La3Mo trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_La3MoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   7.769
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.771
_symmetry_Int_Tables_number   1
_cell_volume   330.595
_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  0.000  0.500  0.500  1.0
  La  La1  1  0.000  0.500  1.000  1.0
  La  La2  1  0.527  0.576  0.750  1.0
  La  La3  1  0.473  0.424  0.250  1.0
  La  La4  1  0.924  0.973  0.250  1.0
  La  La5  1  0.076  0.027  0.750  1.0
  Mo  Mo6  1  0.500  0.000  0.500  1.0
  Mo  Mo7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.439  0.689  0.465  1.0
  O  O9  1  0.561  0.311  0.965  1.0
  O  O10  1  0.811  0.061  0.535  1.0
  O  O11  1  0.189  0.939  0.035  1.0
  O  O12  1  0.561  0.311  0.535  1.0
  O  O13  1  0.439  0.689  0.035  1.0
  O  O14  1  0.189  0.939  0.465  1.0
  O  O15  1  0.811  0.061  0.965  1.0
  O  O16  1  0.156  0.396  0.750  1.0
  O  O17  1  0.844  0.604  0.250  1.0
  O  O18  1  0.104  0.344  0.250  1.0
  O  O19  1  0.896  0.656  0.750  1.0
  O  O20  1  0.439  0.939  0.750  1.0
  O  O21  1  0.561  0.061  0.250  1.0
[/CIF]
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