The material structure described by UO2SO4 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids and corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with four equivalent U(1)O7 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one S(1) atom. is represented by the CIF card [CIF]
data_USO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   6.750
_cell_length_c   12.852
_cell_angle_alpha   76.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.970
_cell_formula_units_Z   4
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  0.247  0.319  0.839  1.0
  U  U1  1  0.747  0.681  0.661  1.0
  U  U2  1  0.753  0.681  0.161  1.0
  U  U3  1  0.253  0.319  0.339  1.0
  S  S4  1  0.953  0.217  0.603  1.0
  S  S5  1  0.453  0.783  0.897  1.0
  S  S6  1  0.047  0.783  0.397  1.0
  S  S7  1  0.547  0.217  0.103  1.0
  O  O8  1  0.976  0.245  0.902  1.0
  O  O9  1  0.476  0.755  0.598  1.0
  O  O10  1  0.024  0.755  0.098  1.0
  O  O11  1  0.524  0.245  0.402  1.0
  O  O12  1  0.021  0.595  0.729  1.0
  O  O13  1  0.521  0.405  0.771  1.0
  O  O14  1  0.979  0.405  0.271  1.0
  O  O15  1  0.479  0.595  0.229  1.0
  O  O16  1  0.211  0.612  0.407  1.0
  O  O17  1  0.711  0.388  0.093  1.0
  O  O18  1  0.789  0.388  0.593  1.0
  O  O19  1  0.289  0.612  0.907  1.0
  O  O20  1  0.054  0.215  0.499  1.0
  O  O21  1  0.554  0.785  0.001  1.0
  O  O22  1  0.946  0.785  0.501  1.0
  O  O23  1  0.446  0.215  0.999  1.0
  O  O24  1  0.171  0.974  0.355  1.0
  O  O25  1  0.671  0.026  0.145  1.0
  O  O26  1  0.829  0.026  0.645  1.0
  O  O27  1  0.329  0.974  0.855  1.0
  O  O28  1  0.358  0.239  0.177  1.0
  O  O29  1  0.858  0.761  0.323  1.0
  O  O30  1  0.642  0.761  0.823  1.0
  O  O31  1  0.142  0.239  0.677  1.0
[/CIF]
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The material structure described by UO2SO4 crystallizes in the monoclinic P2_1/c space group. U(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids and corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with four equivalent U(1)O7 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent U(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one S(1) atom. is represented by the CIF card [CIF]
data_USO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.752
_cell_length_b   6.750
_cell_length_c   12.852
_cell_angle_alpha   76.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.970
_cell_formula_units_Z   4
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  0.247  0.319  0.839  1.0
  U  U1  1  0.747  0.681  0.661  1.0
  U  U2  1  0.753  0.681  0.161  1.0
  U  U3  1  0.253  0.319  0.339  1.0
  S  S4  1  0.953  0.217  0.603  1.0
  S  S5  1  0.453  0.783  0.897  1.0
  S  S6  1  0.047  0.783  0.397  1.0
  S  S7  1  0.547  0.217  0.103  1.0
  O  O8  1  0.976  0.245  0.902  1.0
  O  O9  1  0.476  0.755  0.598  1.0
  O  O10  1  0.024  0.755  0.098  1.0
  O  O11  1  0.524  0.245  0.402  1.0
  O  O12  1  0.021  0.595  0.729  1.0
  O  O13  1  0.521  0.405  0.771  1.0
  O  O14  1  0.979  0.405  0.271  1.0
  O  O15  1  0.479  0.595  0.229  1.0
  O  O16  1  0.211  0.612  0.407  1.0
  O  O17  1  0.711  0.388  0.093  1.0
  O  O18  1  0.789  0.388  0.593  1.0
  O  O19  1  0.289  0.612  0.907  1.0
  O  O20  1  0.054  0.215  0.499  1.0
  O  O21  1  0.554  0.785  0.001  1.0
  O  O22  1  0.946  0.785  0.501  1.0
  O  O23  1  0.446  0.215  0.999  1.0
  O  O24  1  0.171  0.974  0.355  1.0
  O  O25  1  0.671  0.026  0.145  1.0
  O  O26  1  0.829  0.026  0.645  1.0
  O  O27  1  0.329  0.974  0.855  1.0
  O  O28  1  0.358  0.239  0.177  1.0
  O  O29  1  0.858  0.761  0.323  1.0
  O  O30  1  0.642  0.761  0.823  1.0
  O  O31  1  0.142  0.239  0.677  1.0
[/CIF]
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