The material described by UO2MoO4 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 Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MoO4 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 linear geometry to one U(1) and one Mo(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 single-bond geometry to one U(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one U(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one U(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_UMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   7.210
_cell_length_c   13.494
_cell_angle_alpha   75.075
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.893
_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  0.668  0.166  0.647  1.0
  U  U1  1  0.168  0.834  0.853  1.0
  U  U2  1  0.332  0.834  0.353  1.0
  U  U3  1  0.832  0.166  0.147  1.0
  Mo  Mo4  1  0.405  0.290  0.897  1.0
  Mo  Mo5  1  0.595  0.710  0.103  1.0
  Mo  Mo6  1  0.095  0.290  0.397  1.0
  Mo  Mo7  1  0.905  0.710  0.603  1.0
  O  O8  1  0.307  0.524  0.894  1.0
  O  O9  1  0.941  0.070  0.722  1.0
  O  O10  1  0.611  0.753  0.419  1.0
  O  O11  1  0.565  0.303  0.783  1.0
  O  O12  1  0.109  0.799  0.501  1.0
  O  O13  1  0.441  0.930  0.778  1.0
  O  O14  1  0.559  0.070  0.222  1.0
  O  O15  1  0.111  0.247  0.081  1.0
  O  O16  1  0.837  0.870  0.106  1.0
  O  O17  1  0.193  0.524  0.394  1.0
  O  O18  1  0.059  0.930  0.278  1.0
  O  O19  1  0.935  0.303  0.283  1.0
  O  O20  1  0.163  0.130  0.894  1.0
  O  O21  1  0.889  0.753  0.919  1.0
  O  O22  1  0.609  0.201  0.999  1.0
  O  O23  1  0.435  0.697  0.217  1.0
  O  O24  1  0.389  0.247  0.581  1.0
  O  O25  1  0.663  0.870  0.606  1.0
  O  O26  1  0.391  0.799  0.001  1.0
  O  O27  1  0.891  0.201  0.499  1.0
  O  O28  1  0.065  0.697  0.717  1.0
  O  O29  1  0.807  0.476  0.606  1.0
  O  O30  1  0.337  0.130  0.394  1.0
  O  O31  1  0.693  0.476  0.106  1.0
[/CIF]
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The material described by UO2MoO4 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 Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MoO4 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 linear geometry to one U(1) and one Mo(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 single-bond geometry to one U(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one U(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one U(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_UMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   7.210
_cell_length_c   13.494
_cell_angle_alpha   75.075
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   516.893
_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  0.668  0.166  0.647  1.0
  U  U1  1  0.168  0.834  0.853  1.0
  U  U2  1  0.332  0.834  0.353  1.0
  U  U3  1  0.832  0.166  0.147  1.0
  Mo  Mo4  1  0.405  0.290  0.897  1.0
  Mo  Mo5  1  0.595  0.710  0.103  1.0
  Mo  Mo6  1  0.095  0.290  0.397  1.0
  Mo  Mo7  1  0.905  0.710  0.603  1.0
  O  O8  1  0.307  0.524  0.894  1.0
  O  O9  1  0.941  0.070  0.722  1.0
  O  O10  1  0.611  0.753  0.419  1.0
  O  O11  1  0.565  0.303  0.783  1.0
  O  O12  1  0.109  0.799  0.501  1.0
  O  O13  1  0.441  0.930  0.778  1.0
  O  O14  1  0.559  0.070  0.222  1.0
  O  O15  1  0.111  0.247  0.081  1.0
  O  O16  1  0.837  0.870  0.106  1.0
  O  O17  1  0.193  0.524  0.394  1.0
  O  O18  1  0.059  0.930  0.278  1.0
  O  O19  1  0.935  0.303  0.283  1.0
  O  O20  1  0.163  0.130  0.894  1.0
  O  O21  1  0.889  0.753  0.919  1.0
  O  O22  1  0.609  0.201  0.999  1.0
  O  O23  1  0.435  0.697  0.217  1.0
  O  O24  1  0.389  0.247  0.581  1.0
  O  O25  1  0.663  0.870  0.606  1.0
  O  O26  1  0.391  0.799  0.001  1.0
  O  O27  1  0.891  0.201  0.499  1.0
  O  O28  1  0.065  0.697  0.717  1.0
  O  O29  1  0.807  0.476  0.606  1.0
  O  O30  1  0.337  0.130  0.394  1.0
  O  O31  1  0.693  0.476  0.106  1.0
[/CIF]
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