The material described by BaMo(PO4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   4.978
_cell_length_c   7.985
_cell_angle_alpha   86.274
_cell_angle_beta   86.274
_cell_angle_gamma   65.149
_symmetry_Int_Tables_number   1
_cell_volume   179.015
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.368  0.368  0.288  1.0
  P  P3  1  0.632  0.632  0.712  1.0
  O  O4  1  0.290  0.767  0.689  1.0
  O  O5  1  0.689  0.689  0.888  1.0
  O  O6  1  0.710  0.233  0.311  1.0
  O  O7  1  0.234  0.234  0.435  1.0
  O  O8  1  0.766  0.766  0.565  1.0
  O  O9  1  0.233  0.710  0.311  1.0
  O  O10  1  0.311  0.311  0.112  1.0
  O  O11  1  0.767  0.290  0.689  1.0
[/CIF]
.
The material described by BaMo(PO4)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(2) atoms. Mo(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   4.978
_cell_length_c   7.985
_cell_angle_alpha   86.274
_cell_angle_beta   86.274
_cell_angle_gamma   65.149
_symmetry_Int_Tables_number   1
_cell_volume   179.015
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.368  0.368  0.288  1.0
  P  P3  1  0.632  0.632  0.712  1.0
  O  O4  1  0.290  0.767  0.689  1.0
  O  O5  1  0.689  0.689  0.888  1.0
  O  O6  1  0.710  0.233  0.311  1.0
  O  O7  1  0.234  0.234  0.435  1.0
  O  O8  1  0.766  0.766  0.565  1.0
  O  O9  1  0.233  0.710  0.311  1.0
  O  O10  1  0.311  0.311  0.112  1.0
  O  O11  1  0.767  0.290  0.689  1.0
[/CIF]
.