The crystal structure described by CaU(SeO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. U(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one U(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one U(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one U(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_CaU(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.674
_cell_length_b   6.752
_cell_length_c   11.229
_cell_angle_alpha   103.966
_cell_angle_beta   93.625
_cell_angle_gamma   110.726
_symmetry_Int_Tables_number   1
_cell_volume   385.242
_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
  Ca  Ca0  1  0.674  0.245  0.436  1.0
  Ca  Ca1  1  0.326  0.755  0.564  1.0
  U  U2  1  0.167  0.261  0.168  1.0
  U  U3  1  0.833  0.739  0.832  1.0
  Se  Se4  1  0.312  0.811  0.125  1.0
  Se  Se5  1  0.735  0.703  0.353  1.0
  Se  Se6  1  0.688  0.189  0.875  1.0
  Se  Se7  1  0.265  0.297  0.647  1.0
  O  O8  1  0.105  0.872  0.030  1.0
  O  O9  1  0.111  0.581  0.161  1.0
  O  O10  1  0.894  0.178  0.250  1.0
  O  O11  1  0.671  0.977  0.747  1.0
  O  O12  1  0.924  0.621  0.437  1.0
  O  O13  1  0.560  0.521  0.651  1.0
  O  O14  1  0.446  0.350  0.093  1.0
  O  O15  1  0.554  0.650  0.907  1.0
  O  O16  1  0.076  0.379  0.563  1.0
  O  O17  1  0.106  0.822  0.750  1.0
  O  O18  1  0.440  0.479  0.349  1.0
  O  O19  1  0.889  0.419  0.839  1.0
  O  O20  1  0.326  0.098  0.544  1.0
  O  O21  1  0.895  0.128  0.970  1.0
  O  O22  1  0.674  0.902  0.456  1.0
  O  O23  1  0.329  0.023  0.253  1.0
[/CIF]
.
The crystal structure described by CaU(SeO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. U(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent U(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one U(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one U(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one U(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_CaU(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.674
_cell_length_b   6.752
_cell_length_c   11.229
_cell_angle_alpha   103.966
_cell_angle_beta   93.625
_cell_angle_gamma   110.726
_symmetry_Int_Tables_number   1
_cell_volume   385.242
_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
  Ca  Ca0  1  0.674  0.245  0.436  1.0
  Ca  Ca1  1  0.326  0.755  0.564  1.0
  U  U2  1  0.167  0.261  0.168  1.0
  U  U3  1  0.833  0.739  0.832  1.0
  Se  Se4  1  0.312  0.811  0.125  1.0
  Se  Se5  1  0.735  0.703  0.353  1.0
  Se  Se6  1  0.688  0.189  0.875  1.0
  Se  Se7  1  0.265  0.297  0.647  1.0
  O  O8  1  0.105  0.872  0.030  1.0
  O  O9  1  0.111  0.581  0.161  1.0
  O  O10  1  0.894  0.178  0.250  1.0
  O  O11  1  0.671  0.977  0.747  1.0
  O  O12  1  0.924  0.621  0.437  1.0
  O  O13  1  0.560  0.521  0.651  1.0
  O  O14  1  0.446  0.350  0.093  1.0
  O  O15  1  0.554  0.650  0.907  1.0
  O  O16  1  0.076  0.379  0.563  1.0
  O  O17  1  0.106  0.822  0.750  1.0
  O  O18  1  0.440  0.479  0.349  1.0
  O  O19  1  0.889  0.419  0.839  1.0
  O  O20  1  0.326  0.098  0.544  1.0
  O  O21  1  0.895  0.128  0.970  1.0
  O  O22  1  0.674  0.902  0.456  1.0
  O  O23  1  0.329  0.023  0.253  1.0
[/CIF]
.