The structure described by MoOPO4 crystallizes in the orthorhombic Pnma space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the CIF file [CIF]
data_MoPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.407
_cell_length_b   7.321
_cell_length_c   7.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.309
_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
  Mo  Mo0  1  0.250  0.246  0.875  1.0
  Mo  Mo1  1  0.750  0.746  0.625  1.0
  Mo  Mo2  1  0.250  0.254  0.375  1.0
  Mo  Mo3  1  0.750  0.754  0.125  1.0
  P  P4  1  0.250  0.629  0.123  1.0
  P  P5  1  0.750  0.129  0.377  1.0
  P  P6  1  0.250  0.871  0.623  1.0
  P  P7  1  0.750  0.371  0.877  1.0
  O  O8  1  0.750  0.009  0.549  1.0
  O  O9  1  0.750  0.811  0.873  1.0
  O  O10  1  0.942  0.248  0.879  1.0
  O  O11  1  0.558  0.248  0.879  1.0
  O  O12  1  0.750  0.491  0.049  1.0
  O  O13  1  0.250  0.189  0.127  1.0
  O  O14  1  0.058  0.752  0.121  1.0
  O  O15  1  0.442  0.752  0.121  1.0
  O  O16  1  0.750  0.012  0.203  1.0
  O  O17  1  0.250  0.512  0.297  1.0
  O  O18  1  0.558  0.252  0.379  1.0
  O  O19  1  0.250  0.988  0.797  1.0
  O  O20  1  0.750  0.689  0.373  1.0
  O  O21  1  0.250  0.991  0.451  1.0
  O  O22  1  0.250  0.509  0.951  1.0
  O  O23  1  0.250  0.311  0.627  1.0
  O  O24  1  0.058  0.748  0.621  1.0
  O  O25  1  0.442  0.748  0.621  1.0
  O  O26  1  0.750  0.488  0.703  1.0
  O  O27  1  0.942  0.252  0.379  1.0
[/CIF]
.
The structure described by MoOPO4 crystallizes in the orthorhombic Pnma space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 27°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the CIF file [CIF]
data_MoPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.407
_cell_length_b   7.321
_cell_length_c   7.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.309
_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
  Mo  Mo0  1  0.250  0.246  0.875  1.0
  Mo  Mo1  1  0.750  0.746  0.625  1.0
  Mo  Mo2  1  0.250  0.254  0.375  1.0
  Mo  Mo3  1  0.750  0.754  0.125  1.0
  P  P4  1  0.250  0.629  0.123  1.0
  P  P5  1  0.750  0.129  0.377  1.0
  P  P6  1  0.250  0.871  0.623  1.0
  P  P7  1  0.750  0.371  0.877  1.0
  O  O8  1  0.750  0.009  0.549  1.0
  O  O9  1  0.750  0.811  0.873  1.0
  O  O10  1  0.942  0.248  0.879  1.0
  O  O11  1  0.558  0.248  0.879  1.0
  O  O12  1  0.750  0.491  0.049  1.0
  O  O13  1  0.250  0.189  0.127  1.0
  O  O14  1  0.058  0.752  0.121  1.0
  O  O15  1  0.442  0.752  0.121  1.0
  O  O16  1  0.750  0.012  0.203  1.0
  O  O17  1  0.250  0.512  0.297  1.0
  O  O18  1  0.558  0.252  0.379  1.0
  O  O19  1  0.250  0.988  0.797  1.0
  O  O20  1  0.750  0.689  0.373  1.0
  O  O21  1  0.250  0.991  0.451  1.0
  O  O22  1  0.250  0.509  0.951  1.0
  O  O23  1  0.250  0.311  0.627  1.0
  O  O24  1  0.058  0.748  0.621  1.0
  O  O25  1  0.442  0.748  0.621  1.0
  O  O26  1  0.750  0.488  0.703  1.0
  O  O27  1  0.942  0.252  0.379  1.0
[/CIF]
.