The material structure described by UCu2(PO5)2 crystallizes in the monoclinic C2/m space group. U(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. P(1) is bonded to one O(1), 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 26°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one U(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one U(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. is represented by the CIF card [CIF]
data_UCu2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.719
_cell_length_b   7.719
_cell_length_c   5.090
_cell_angle_alpha   74.882
_cell_angle_beta   74.882
_cell_angle_gamma   44.349
_symmetry_Int_Tables_number   1
_cell_volume   203.384
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  P  P3  1  0.350  0.350  0.922  1.0
  P  P4  1  0.650  0.650  0.078  1.0
  O  O5  1  0.281  0.281  0.224  1.0
  O  O6  1  0.630  0.193  0.873  1.0
  O  O7  1  0.719  0.719  0.776  1.0
  O  O8  1  0.193  0.630  0.873  1.0
  O  O9  1  0.090  0.090  0.663  1.0
  O  O10  1  0.910  0.910  0.337  1.0
  O  O11  1  0.716  0.716  0.278  1.0
  O  O12  1  0.370  0.807  0.127  1.0
  O  O13  1  0.807  0.370  0.127  1.0
  O  O14  1  0.284  0.284  0.722  1.0
[/CIF]
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The material structure described by UCu2(PO5)2 crystallizes in the monoclinic C2/m space group. U(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. P(1) is bonded to one O(1), 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 26°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one U(1) and one P(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one U(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. is represented by the CIF card [CIF]
data_UCu2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.719
_cell_length_b   7.719
_cell_length_c   5.090
_cell_angle_alpha   74.882
_cell_angle_beta   74.882
_cell_angle_gamma   44.349
_symmetry_Int_Tables_number   1
_cell_volume   203.384
_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
  U  U0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  P  P3  1  0.350  0.350  0.922  1.0
  P  P4  1  0.650  0.650  0.078  1.0
  O  O5  1  0.281  0.281  0.224  1.0
  O  O6  1  0.630  0.193  0.873  1.0
  O  O7  1  0.719  0.719  0.776  1.0
  O  O8  1  0.193  0.630  0.873  1.0
  O  O9  1  0.090  0.090  0.663  1.0
  O  O10  1  0.910  0.910  0.337  1.0
  O  O11  1  0.716  0.716  0.278  1.0
  O  O12  1  0.370  0.807  0.127  1.0
  O  O13  1  0.807  0.370  0.127  1.0
  O  O14  1  0.284  0.284  0.722  1.0
[/CIF]
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