The crystal structure described by SmMoO5 crystallizes in the monoclinic P2_1/c space group. Sm(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(1), 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 4-coordinate geometry to two equivalent Sm(1), one Mo(1), and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.800
_cell_length_b   5.442
_cell_length_c   7.094
_cell_angle_alpha   63.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.084
_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
  Sm  Sm0  1  0.060  0.658  0.715  1.0
  Sm  Sm1  1  0.940  0.342  0.285  1.0
  Sm  Sm2  1  0.560  0.342  0.785  1.0
  Sm  Sm3  1  0.440  0.658  0.215  1.0
  Mo  Mo4  1  0.365  0.915  0.645  1.0
  Mo  Mo5  1  0.635  0.085  0.355  1.0
  Mo  Mo6  1  0.865  0.085  0.855  1.0
  Mo  Mo7  1  0.135  0.915  0.145  1.0
  O  O8  1  0.445  0.458  0.986  1.0
  O  O9  1  0.555  0.542  0.014  1.0
  O  O10  1  0.945  0.542  0.514  1.0
  O  O11  1  0.055  0.458  0.486  1.0
  O  O12  1  0.925  0.988  0.662  1.0
  O  O13  1  0.075  0.012  0.338  1.0
  O  O14  1  0.425  0.012  0.838  1.0
  O  O15  1  0.575  0.988  0.162  1.0
  O  O16  1  0.439  0.705  0.545  1.0
  O  O17  1  0.561  0.295  0.455  1.0
  O  O18  1  0.939  0.295  0.955  1.0
  O  O19  1  0.061  0.705  0.045  1.0
  O  O20  1  0.238  0.781  0.728  1.0
  O  O21  1  0.762  0.219  0.272  1.0
  O  O22  1  0.738  0.219  0.772  1.0
  O  O23  1  0.262  0.781  0.228  1.0
  O  O24  1  0.655  0.769  0.579  1.0
  O  O25  1  0.345  0.231  0.421  1.0
  O  O26  1  0.155  0.231  0.921  1.0
  O  O27  1  0.845  0.769  0.079  1.0
[/CIF]
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The crystal structure described by SmMoO5 crystallizes in the monoclinic P2_1/c space group. Sm(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(1), 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 4-coordinate geometry to two equivalent Sm(1), one Mo(1), and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sm(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Sm(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.800
_cell_length_b   5.442
_cell_length_c   7.094
_cell_angle_alpha   63.459
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.084
_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
  Sm  Sm0  1  0.060  0.658  0.715  1.0
  Sm  Sm1  1  0.940  0.342  0.285  1.0
  Sm  Sm2  1  0.560  0.342  0.785  1.0
  Sm  Sm3  1  0.440  0.658  0.215  1.0
  Mo  Mo4  1  0.365  0.915  0.645  1.0
  Mo  Mo5  1  0.635  0.085  0.355  1.0
  Mo  Mo6  1  0.865  0.085  0.855  1.0
  Mo  Mo7  1  0.135  0.915  0.145  1.0
  O  O8  1  0.445  0.458  0.986  1.0
  O  O9  1  0.555  0.542  0.014  1.0
  O  O10  1  0.945  0.542  0.514  1.0
  O  O11  1  0.055  0.458  0.486  1.0
  O  O12  1  0.925  0.988  0.662  1.0
  O  O13  1  0.075  0.012  0.338  1.0
  O  O14  1  0.425  0.012  0.838  1.0
  O  O15  1  0.575  0.988  0.162  1.0
  O  O16  1  0.439  0.705  0.545  1.0
  O  O17  1  0.561  0.295  0.455  1.0
  O  O18  1  0.939  0.295  0.955  1.0
  O  O19  1  0.061  0.705  0.045  1.0
  O  O20  1  0.238  0.781  0.728  1.0
  O  O21  1  0.762  0.219  0.272  1.0
  O  O22  1  0.738  0.219  0.772  1.0
  O  O23  1  0.262  0.781  0.228  1.0
  O  O24  1  0.655  0.769  0.579  1.0
  O  O25  1  0.345  0.231  0.421  1.0
  O  O26  1  0.155  0.231  0.921  1.0
  O  O27  1  0.845  0.769  0.079  1.0
[/CIF]
.