The compound described by Cs3(UO2)2(PO4)O2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent U(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one U(1), and one P(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one U(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(2), and one P(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3U2PO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.038
_cell_length_b   8.038
_cell_length_c   12.597
_cell_angle_alpha   69.245
_cell_angle_beta   69.245
_cell_angle_gamma   62.010
_symmetry_Int_Tables_number   1
_cell_volume   654.449
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.914  0.486  0.183  1.0
  Cs  Cs1  1  0.514  0.086  0.317  1.0
  Cs  Cs2  1  0.086  0.514  0.817  1.0
  Cs  Cs3  1  0.486  0.914  0.683  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Cs  Cs5  1  0.500  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.000  1.0
  U  U7  1  0.000  0.500  0.500  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.000  0.000  0.500  1.0
  P  P10  1  0.232  0.768  0.250  1.0
  P  P11  1  0.768  0.232  0.750  1.0
  O  O12  1  0.715  0.991  0.068  1.0
  O  O13  1  0.009  0.285  0.432  1.0
  O  O14  1  0.285  0.009  0.932  1.0
  O  O15  1  0.991  0.715  0.568  1.0
  O  O16  1  0.316  0.204  0.072  1.0
  O  O17  1  0.796  0.684  0.428  1.0
  O  O18  1  0.684  0.796  0.928  1.0
  O  O19  1  0.204  0.316  0.572  1.0
  O  O20  1  0.434  0.754  0.167  1.0
  O  O21  1  0.246  0.566  0.333  1.0
  O  O22  1  0.566  0.246  0.833  1.0
  O  O23  1  0.754  0.434  0.667  1.0
  O  O24  1  0.900  0.238  0.042  1.0
  O  O25  1  0.762  0.100  0.458  1.0
  O  O26  1  0.100  0.762  0.958  1.0
  O  O27  1  0.238  0.900  0.542  1.0
  O  O28  1  0.085  0.831  0.176  1.0
  O  O29  1  0.169  0.915  0.324  1.0
  O  O30  1  0.915  0.169  0.824  1.0
  O  O31  1  0.831  0.085  0.676  1.0
[/CIF]
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The compound described by Cs3(UO2)2(PO4)O2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with two equivalent U(2)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one U(1), and one P(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one U(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(2), and one P(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3U2PO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.038
_cell_length_b   8.038
_cell_length_c   12.597
_cell_angle_alpha   69.245
_cell_angle_beta   69.245
_cell_angle_gamma   62.010
_symmetry_Int_Tables_number   1
_cell_volume   654.449
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.914  0.486  0.183  1.0
  Cs  Cs1  1  0.514  0.086  0.317  1.0
  Cs  Cs2  1  0.086  0.514  0.817  1.0
  Cs  Cs3  1  0.486  0.914  0.683  1.0
  Cs  Cs4  1  0.500  0.500  0.000  1.0
  Cs  Cs5  1  0.500  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.000  1.0
  U  U7  1  0.000  0.500  0.500  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.000  0.000  0.500  1.0
  P  P10  1  0.232  0.768  0.250  1.0
  P  P11  1  0.768  0.232  0.750  1.0
  O  O12  1  0.715  0.991  0.068  1.0
  O  O13  1  0.009  0.285  0.432  1.0
  O  O14  1  0.285  0.009  0.932  1.0
  O  O15  1  0.991  0.715  0.568  1.0
  O  O16  1  0.316  0.204  0.072  1.0
  O  O17  1  0.796  0.684  0.428  1.0
  O  O18  1  0.684  0.796  0.928  1.0
  O  O19  1  0.204  0.316  0.572  1.0
  O  O20  1  0.434  0.754  0.167  1.0
  O  O21  1  0.246  0.566  0.333  1.0
  O  O22  1  0.566  0.246  0.833  1.0
  O  O23  1  0.754  0.434  0.667  1.0
  O  O24  1  0.900  0.238  0.042  1.0
  O  O25  1  0.762  0.100  0.458  1.0
  O  O26  1  0.100  0.762  0.958  1.0
  O  O27  1  0.238  0.900  0.542  1.0
  O  O28  1  0.085  0.831  0.176  1.0
  O  O29  1  0.169  0.915  0.324  1.0
  O  O30  1  0.915  0.169  0.824  1.0
  O  O31  1  0.831  0.085  0.676  1.0
[/CIF]
.