The structure described by Ba2U(PO5)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(4), three equivalent O(3), and four equivalent O(2) atoms. U(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one U(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one U(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2U(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.533
_cell_length_b   7.002
_cell_length_c   7.144
_cell_angle_alpha   101.474
_cell_angle_beta   90.000
_cell_angle_gamma   113.275
_symmetry_Int_Tables_number   1
_cell_volume   248.226
_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  0.161  0.322  0.203  1.0
  Ba  Ba1  1  0.839  0.678  0.797  1.0
  U  U2  1  0.500  0.000  0.500  1.0
  P  P3  1  0.144  0.287  0.723  1.0
  P  P4  1  0.856  0.713  0.277  1.0
  O  O5  1  0.468  0.936  0.736  1.0
  O  O6  1  0.532  0.064  0.264  1.0
  O  O7  1  0.912  0.274  0.584  1.0
  O  O8  1  0.362  0.274  0.584  1.0
  O  O9  1  0.088  0.726  0.416  1.0
  O  O10  1  0.638  0.726  0.416  1.0
  O  O11  1  0.252  0.503  0.865  1.0
  O  O12  1  0.748  0.497  0.135  1.0
  O  O13  1  0.050  0.100  0.822  1.0
  O  O14  1  0.950  0.900  0.178  1.0
[/CIF]
.
The structure described by Ba2U(PO5)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(4), three equivalent O(3), and four equivalent O(2) atoms. U(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one U(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one U(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2U(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.533
_cell_length_b   7.002
_cell_length_c   7.144
_cell_angle_alpha   101.474
_cell_angle_beta   90.000
_cell_angle_gamma   113.275
_symmetry_Int_Tables_number   1
_cell_volume   248.226
_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  0.161  0.322  0.203  1.0
  Ba  Ba1  1  0.839  0.678  0.797  1.0
  U  U2  1  0.500  0.000  0.500  1.0
  P  P3  1  0.144  0.287  0.723  1.0
  P  P4  1  0.856  0.713  0.277  1.0
  O  O5  1  0.468  0.936  0.736  1.0
  O  O6  1  0.532  0.064  0.264  1.0
  O  O7  1  0.912  0.274  0.584  1.0
  O  O8  1  0.362  0.274  0.584  1.0
  O  O9  1  0.088  0.726  0.416  1.0
  O  O10  1  0.638  0.726  0.416  1.0
  O  O11  1  0.252  0.503  0.865  1.0
  O  O12  1  0.748  0.497  0.135  1.0
  O  O13  1  0.050  0.100  0.822  1.0
  O  O14  1  0.950  0.900  0.178  1.0
[/CIF]
.