The structure described by Ca2UO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), 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(5) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), one U(1), and one U(2) atom to form OCa2U2 tetrahedra that share corners with two equivalent O(1)Ca2U2 tetrahedra, corners with three equivalent O(4)Ca3U trigonal pyramids, and  an edgeedge with one O(4)Ca3U trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one U(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one U(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), two equivalent Ca(2), and one U(2) atom to form distorted OCa3U trigonal pyramids that share corners with three equivalent O(1)Ca2U2 tetrahedra, corners with three equivalent O(4)Ca3U trigonal pyramids, and  an edgeedge with one O(1)Ca2U2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2UO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   7.883
_cell_length_c   11.404
_cell_angle_alpha   72.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.170
_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
  Ca  Ca0  1  0.940  0.154  0.682  1.0
  Ca  Ca1  1  0.440  0.846  0.818  1.0
  Ca  Ca2  1  0.060  0.846  0.318  1.0
  Ca  Ca3  1  0.560  0.154  0.182  1.0
  Ca  Ca4  1  0.494  0.346  0.863  1.0
  Ca  Ca5  1  0.994  0.654  0.637  1.0
  Ca  Ca6  1  0.506  0.654  0.137  1.0
  Ca  Ca7  1  0.006  0.346  0.363  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.500  0.000  0.500  1.0
  U  U10  1  0.000  0.500  0.000  1.0
  U  U11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.681  0.250  0.504  1.0
  O  O13  1  0.181  0.750  0.996  1.0
  O  O14  1  0.319  0.750  0.496  1.0
  O  O15  1  0.819  0.250  0.004  1.0
  O  O16  1  0.756  0.018  0.368  1.0
  O  O17  1  0.256  0.982  0.132  1.0
  O  O18  1  0.244  0.982  0.632  1.0
  O  O19  1  0.744  0.018  0.868  1.0
  O  O20  1  0.808  0.617  0.430  1.0
  O  O21  1  0.308  0.383  0.070  1.0
  O  O22  1  0.192  0.383  0.570  1.0
  O  O23  1  0.692  0.617  0.930  1.0
  O  O24  1  0.670  0.448  0.673  1.0
  O  O25  1  0.170  0.552  0.827  1.0
  O  O26  1  0.330  0.552  0.327  1.0
  O  O27  1  0.830  0.448  0.173  1.0
  O  O28  1  0.719  0.880  0.644  1.0
  O  O29  1  0.219  0.120  0.856  1.0
  O  O30  1  0.281  0.120  0.356  1.0
  O  O31  1  0.781  0.880  0.144  1.0
[/CIF]
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The structure described by Ca2UO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), 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(5) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second U site, U(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), one U(1), and one U(2) atom to form OCa2U2 tetrahedra that share corners with two equivalent O(1)Ca2U2 tetrahedra, corners with three equivalent O(4)Ca3U trigonal pyramids, and  an edgeedge with one O(4)Ca3U trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), two equivalent Ca(1), and one U(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one U(2) atom. In the fourth O site, O(4) is bonded to one Ca(1), two equivalent Ca(2), and one U(2) atom to form distorted OCa3U trigonal pyramids that share corners with three equivalent O(1)Ca2U2 tetrahedra, corners with three equivalent O(4)Ca3U trigonal pyramids, and  an edgeedge with one O(1)Ca2U2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2UO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   7.883
_cell_length_c   11.404
_cell_angle_alpha   72.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.170
_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
  Ca  Ca0  1  0.940  0.154  0.682  1.0
  Ca  Ca1  1  0.440  0.846  0.818  1.0
  Ca  Ca2  1  0.060  0.846  0.318  1.0
  Ca  Ca3  1  0.560  0.154  0.182  1.0
  Ca  Ca4  1  0.494  0.346  0.863  1.0
  Ca  Ca5  1  0.994  0.654  0.637  1.0
  Ca  Ca6  1  0.506  0.654  0.137  1.0
  Ca  Ca7  1  0.006  0.346  0.363  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.500  0.000  0.500  1.0
  U  U10  1  0.000  0.500  0.000  1.0
  U  U11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.681  0.250  0.504  1.0
  O  O13  1  0.181  0.750  0.996  1.0
  O  O14  1  0.319  0.750  0.496  1.0
  O  O15  1  0.819  0.250  0.004  1.0
  O  O16  1  0.756  0.018  0.368  1.0
  O  O17  1  0.256  0.982  0.132  1.0
  O  O18  1  0.244  0.982  0.632  1.0
  O  O19  1  0.744  0.018  0.868  1.0
  O  O20  1  0.808  0.617  0.430  1.0
  O  O21  1  0.308  0.383  0.070  1.0
  O  O22  1  0.192  0.383  0.570  1.0
  O  O23  1  0.692  0.617  0.930  1.0
  O  O24  1  0.670  0.448  0.673  1.0
  O  O25  1  0.170  0.552  0.827  1.0
  O  O26  1  0.330  0.552  0.327  1.0
  O  O27  1  0.830  0.448  0.173  1.0
  O  O28  1  0.719  0.880  0.644  1.0
  O  O29  1  0.219  0.120  0.856  1.0
  O  O30  1  0.281  0.120  0.356  1.0
  O  O31  1  0.781  0.880  0.144  1.0
[/CIF]
.