The material described by Cs2U3P6(HO5)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 14-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with two equivalent P(2)HO3 tetrahedra and corners with four equivalent P(3)HO3 tetrahedra. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(5) atoms. In the second P site, P(2) is bonded to one H(1), one O(1), and two equivalent O(4) atoms to form distorted PHO3 tetrahedra that share  a cornercorner with one U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third P site, P(3) is bonded to one H(2), one O(7), and two equivalent O(2) atoms to form distorted PHO3 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(3) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(1), and one P(3) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one U(2), and one P(1) atom. In the third O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one U(2), and one P(2) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one U(2), and one P(1) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one U(2), and one P(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one U(2), and one P(3) atom. In the seventh O site, O(1) is bonded in a distorted linear geometry to one Cs(1), one U(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs2U3P6(HO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.249
_cell_length_b   13.249
_cell_length_c   7.750
_cell_angle_alpha   81.109
_cell_angle_beta   81.109
_cell_angle_gamma   24.803
_symmetry_Int_Tables_number   1
_cell_volume   563.469
_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
  Cs  Cs0  1  0.669  0.669  0.421  1.0
  Cs  Cs1  1  0.331  0.331  0.579  1.0
  U  U2  1  0.500  0.500  0.500  1.0
  U  U3  1  0.821  0.821  0.078  1.0
  U  U4  1  0.179  0.179  0.922  1.0
  P  P5  1  0.744  0.744  0.812  1.0
  P  P6  1  0.256  0.256  0.188  1.0
  P  P7  1  0.415  0.415  0.943  1.0
  P  P8  1  0.585  0.585  0.057  1.0
  P  P9  1  0.933  0.933  0.317  1.0
  P  P10  1  0.067  0.067  0.683  1.0
  H  H11  1  0.449  0.449  0.068  1.0
  H  H12  1  0.551  0.551  0.932  1.0
  H  H13  1  0.964  0.964  0.151  1.0
  H  H14  1  0.036  0.036  0.849  1.0
  O  O15  1  0.451  0.451  0.763  1.0
  O  O16  1  0.549  0.549  0.237  1.0
  O  O17  1  0.829  0.277  0.589  1.0
  O  O18  1  0.277  0.829  0.589  1.0
  O  O19  1  0.171  0.723  0.411  1.0
  O  O20  1  0.723  0.171  0.411  1.0
  O  O21  1  0.730  0.730  0.015  1.0
  O  O22  1  0.270  0.270  0.985  1.0
  O  O23  1  0.157  0.608  0.969  1.0
  O  O24  1  0.608  0.157  0.969  1.0
  O  O25  1  0.843  0.392  0.031  1.0
  O  O26  1  0.392  0.843  0.031  1.0
  O  O27  1  0.058  0.501  0.265  1.0
  O  O28  1  0.501  0.058  0.265  1.0
  O  O29  1  0.942  0.499  0.735  1.0
  O  O30  1  0.499  0.942  0.735  1.0
  O  O31  1  0.805  0.805  0.776  1.0
  O  O32  1  0.195  0.195  0.224  1.0
  O  O33  1  0.875  0.875  0.293  1.0
  O  O34  1  0.125  0.125  0.707  1.0
[/CIF]
.
The material described by Cs2U3P6(HO5)4 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 14-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form UO6 octahedra that share corners with two equivalent P(2)HO3 tetrahedra and corners with four equivalent P(3)HO3 tetrahedra. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(5) atoms. In the second P site, P(2) is bonded to one H(1), one O(1), and two equivalent O(4) atoms to form distorted PHO3 tetrahedra that share  a cornercorner with one U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third P site, P(3) is bonded to one H(2), one O(7), and two equivalent O(2) atoms to form distorted PHO3 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(3) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one U(1), and one P(3) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), one U(2), and one P(1) atom. In the third O site, O(4) is bonded in a distorted linear geometry to one Cs(1), one U(2), and one P(2) atom. In the fourth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one U(2), and one P(1) atom. In the fifth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one U(2), and one P(1) atom. In the sixth O site, O(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one U(2), and one P(3) atom. In the seventh O site, O(1) is bonded in a distorted linear geometry to one Cs(1), one U(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs2U3P6(HO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.249
_cell_length_b   13.249
_cell_length_c   7.750
_cell_angle_alpha   81.109
_cell_angle_beta   81.109
_cell_angle_gamma   24.803
_symmetry_Int_Tables_number   1
_cell_volume   563.469
_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
  Cs  Cs0  1  0.669  0.669  0.421  1.0
  Cs  Cs1  1  0.331  0.331  0.579  1.0
  U  U2  1  0.500  0.500  0.500  1.0
  U  U3  1  0.821  0.821  0.078  1.0
  U  U4  1  0.179  0.179  0.922  1.0
  P  P5  1  0.744  0.744  0.812  1.0
  P  P6  1  0.256  0.256  0.188  1.0
  P  P7  1  0.415  0.415  0.943  1.0
  P  P8  1  0.585  0.585  0.057  1.0
  P  P9  1  0.933  0.933  0.317  1.0
  P  P10  1  0.067  0.067  0.683  1.0
  H  H11  1  0.449  0.449  0.068  1.0
  H  H12  1  0.551  0.551  0.932  1.0
  H  H13  1  0.964  0.964  0.151  1.0
  H  H14  1  0.036  0.036  0.849  1.0
  O  O15  1  0.451  0.451  0.763  1.0
  O  O16  1  0.549  0.549  0.237  1.0
  O  O17  1  0.829  0.277  0.589  1.0
  O  O18  1  0.277  0.829  0.589  1.0
  O  O19  1  0.171  0.723  0.411  1.0
  O  O20  1  0.723  0.171  0.411  1.0
  O  O21  1  0.730  0.730  0.015  1.0
  O  O22  1  0.270  0.270  0.985  1.0
  O  O23  1  0.157  0.608  0.969  1.0
  O  O24  1  0.608  0.157  0.969  1.0
  O  O25  1  0.843  0.392  0.031  1.0
  O  O26  1  0.392  0.843  0.031  1.0
  O  O27  1  0.058  0.501  0.265  1.0
  O  O28  1  0.501  0.058  0.265  1.0
  O  O29  1  0.942  0.499  0.735  1.0
  O  O30  1  0.499  0.942  0.735  1.0
  O  O31  1  0.805  0.805  0.776  1.0
  O  O32  1  0.195  0.195  0.224  1.0
  O  O33  1  0.875  0.875  0.293  1.0
  O  O34  1  0.125  0.125  0.707  1.0
[/CIF]
.