The material structure described by LaMoO5 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one La(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one La(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_LaMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.050
_cell_length_b   5.586
_cell_length_c   7.270
_cell_angle_alpha   64.603
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.678
_cell_formula_units_Z   4
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  0.563  0.655  0.217  1.0
  La  La1  1  0.437  0.345  0.783  1.0
  La  La2  1  0.063  0.345  0.283  1.0
  La  La3  1  0.937  0.655  0.717  1.0
  Mo  Mo4  1  0.866  0.922  0.142  1.0
  Mo  Mo5  1  0.134  0.078  0.858  1.0
  Mo  Mo6  1  0.366  0.078  0.358  1.0
  Mo  Mo7  1  0.634  0.922  0.642  1.0
  O  O8  1  0.947  0.464  0.482  1.0
  O  O9  1  0.053  0.536  0.518  1.0
  O  O10  1  0.447  0.536  0.018  1.0
  O  O11  1  0.553  0.464  0.982  1.0
  O  O12  1  0.428  0.991  0.168  1.0
  O  O13  1  0.572  0.009  0.832  1.0
  O  O14  1  0.928  0.009  0.332  1.0
  O  O15  1  0.072  0.991  0.668  1.0
  O  O16  1  0.939  0.715  0.046  1.0
  O  O17  1  0.061  0.285  0.954  1.0
  O  O18  1  0.439  0.285  0.454  1.0
  O  O19  1  0.561  0.715  0.546  1.0
  O  O20  1  0.742  0.786  0.227  1.0
  O  O21  1  0.258  0.214  0.773  1.0
  O  O22  1  0.242  0.214  0.273  1.0
  O  O23  1  0.758  0.786  0.727  1.0
  O  O24  1  0.155  0.774  0.072  1.0
  O  O25  1  0.845  0.226  0.928  1.0
  O  O26  1  0.655  0.226  0.428  1.0
  O  O27  1  0.345  0.774  0.572  1.0
[/CIF]
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The material structure described by LaMoO5 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one La(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one La(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_LaMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.050
_cell_length_b   5.586
_cell_length_c   7.270
_cell_angle_alpha   64.603
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.678
_cell_formula_units_Z   4
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  0.563  0.655  0.217  1.0
  La  La1  1  0.437  0.345  0.783  1.0
  La  La2  1  0.063  0.345  0.283  1.0
  La  La3  1  0.937  0.655  0.717  1.0
  Mo  Mo4  1  0.866  0.922  0.142  1.0
  Mo  Mo5  1  0.134  0.078  0.858  1.0
  Mo  Mo6  1  0.366  0.078  0.358  1.0
  Mo  Mo7  1  0.634  0.922  0.642  1.0
  O  O8  1  0.947  0.464  0.482  1.0
  O  O9  1  0.053  0.536  0.518  1.0
  O  O10  1  0.447  0.536  0.018  1.0
  O  O11  1  0.553  0.464  0.982  1.0
  O  O12  1  0.428  0.991  0.168  1.0
  O  O13  1  0.572  0.009  0.832  1.0
  O  O14  1  0.928  0.009  0.332  1.0
  O  O15  1  0.072  0.991  0.668  1.0
  O  O16  1  0.939  0.715  0.046  1.0
  O  O17  1  0.061  0.285  0.954  1.0
  O  O18  1  0.439  0.285  0.454  1.0
  O  O19  1  0.561  0.715  0.546  1.0
  O  O20  1  0.742  0.786  0.227  1.0
  O  O21  1  0.258  0.214  0.773  1.0
  O  O22  1  0.242  0.214  0.273  1.0
  O  O23  1  0.758  0.786  0.727  1.0
  O  O24  1  0.155  0.774  0.072  1.0
  O  O25  1  0.845  0.226  0.928  1.0
  O  O26  1  0.655  0.226  0.428  1.0
  O  O27  1  0.345  0.774  0.572  1.0
[/CIF]
.