The compound described by La2MoO5 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Mo(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with sixteen equivalent O(2)La3Mo tetrahedra, edges with two equivalent O(1)La4 tetrahedra, and edges with four equivalent O(2)La3Mo tetrahedra. In the second O site, O(2) is bonded to three equivalent La(1) and one Mo(1) atom to form OLa3Mo tetrahedra that share corners with four equivalent O(1)La4 tetrahedra, corners with ten equivalent O(2)La3Mo tetrahedra,  an edgeedge with one O(1)La4 tetrahedra, and edges with four equivalent O(2)La3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   7.073
_cell_length_c   7.073
_cell_angle_alpha   100.709
_cell_angle_beta   100.709
_cell_angle_gamma   128.930
_symmetry_Int_Tables_number   1
_cell_volume   248.399
_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  0.392  0.178  0.570  1.0
  La  La1  1  0.608  0.822  0.430  1.0
  La  La2  1  0.822  0.392  0.214  1.0
  La  La3  1  0.178  0.608  0.786  1.0
  Mo  Mo4  1  0.204  0.204  0.000  1.0
  Mo  Mo5  1  0.796  0.796  0.000  1.0
  O  O6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.455  0.360  0.284  1.0
  O  O9  1  0.076  0.170  0.716  1.0
  O  O10  1  0.170  0.455  0.094  1.0
  O  O11  1  0.360  0.076  0.906  1.0
  O  O12  1  0.545  0.640  0.716  1.0
  O  O13  1  0.924  0.830  0.284  1.0
  O  O14  1  0.830  0.545  0.906  1.0
  O  O15  1  0.640  0.924  0.094  1.0
[/CIF]
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The compound described by La2MoO5 crystallizes in the tetragonal I4/m space group. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Mo(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with sixteen equivalent O(2)La3Mo tetrahedra, edges with two equivalent O(1)La4 tetrahedra, and edges with four equivalent O(2)La3Mo tetrahedra. In the second O site, O(2) is bonded to three equivalent La(1) and one Mo(1) atom to form OLa3Mo tetrahedra that share corners with four equivalent O(1)La4 tetrahedra, corners with ten equivalent O(2)La3Mo tetrahedra,  an edgeedge with one O(1)La4 tetrahedra, and edges with four equivalent O(2)La3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   7.073
_cell_length_c   7.073
_cell_angle_alpha   100.709
_cell_angle_beta   100.709
_cell_angle_gamma   128.930
_symmetry_Int_Tables_number   1
_cell_volume   248.399
_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  0.392  0.178  0.570  1.0
  La  La1  1  0.608  0.822  0.430  1.0
  La  La2  1  0.822  0.392  0.214  1.0
  La  La3  1  0.178  0.608  0.786  1.0
  Mo  Mo4  1  0.204  0.204  0.000  1.0
  Mo  Mo5  1  0.796  0.796  0.000  1.0
  O  O6  1  0.750  0.250  0.500  1.0
  O  O7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.455  0.360  0.284  1.0
  O  O9  1  0.076  0.170  0.716  1.0
  O  O10  1  0.170  0.455  0.094  1.0
  O  O11  1  0.360  0.076  0.906  1.0
  O  O12  1  0.545  0.640  0.716  1.0
  O  O13  1  0.924  0.830  0.284  1.0
  O  O14  1  0.830  0.545  0.906  1.0
  O  O15  1  0.640  0.924  0.094  1.0
[/CIF]
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