The material structure described by CaU4O17 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(16), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent U sites. In the first U site, U(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(2), and one O(8) atom. In the second U site, U(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(6), and two equivalent O(2) atoms. In the third U site, U(3) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(1) atoms to form distorted edge-sharing UO6 octahedra. In the fourth U site, U(4) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(15), one O(7), one O(9), and two equivalent O(5) atoms. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one U(4) and two equivalent U(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one U(3) and two equivalent U(4) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one U(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(4) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one U(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one U(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one U(1), one U(2), and one O(17) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one U(1), one U(2), and one U(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one U(1) and one U(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one U(2) and one U(4) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Ca(1) and one O(16) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(12) atom. is represented by the CIF card [CIF]
data_CaU4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.281
_cell_length_b   8.812
_cell_length_c   11.852
_cell_angle_alpha   101.296
_cell_angle_beta   94.538
_cell_angle_gamma   107.866
_symmetry_Int_Tables_number   1
_cell_volume   798.213
_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  0.861  0.905  0.737  1.0
  Ca  Ca1  1  0.139  0.095  0.263  1.0
  U  U2  1  0.439  0.610  0.830  1.0
  U  U3  1  0.561  0.390  0.170  1.0
  U  U4  1  0.449  0.018  0.841  1.0
  U  U5  1  0.551  0.982  0.159  1.0
  U  U6  1  0.142  0.694  0.572  1.0
  U  U7  1  0.858  0.306  0.428  1.0
  U  U8  1  0.192  0.172  0.593  1.0
  U  U9  1  0.808  0.828  0.407  1.0
  O  O10  1  0.084  0.431  0.558  1.0
  O  O11  1  0.916  0.569  0.442  1.0
  O  O12  1  0.467  0.837  0.954  1.0
  O  O13  1  0.533  0.163  0.046  1.0
  O  O14  1  0.006  0.711  0.690  1.0
  O  O15  1  0.994  0.289  0.310  1.0
  O  O16  1  0.674  0.047  0.814  1.0
  O  O17  1  0.326  0.953  0.186  1.0
  O  O18  1  0.072  0.900  0.527  1.0
  O  O19  1  0.928  0.100  0.473  1.0
  O  O20  1  0.234  0.002  0.874  1.0
  O  O21  1  0.766  0.998  0.126  1.0
  O  O22  1  0.284  0.185  0.454  1.0
  O  O23  1  0.716  0.815  0.546  1.0
  O  O24  1  0.669  0.699  0.810  1.0
  O  O25  1  0.331  0.301  0.190  1.0
  O  O26  1  0.062  0.151  0.714  1.0
  O  O27  1  0.938  0.849  0.286  1.0
  O  O28  1  0.239  0.508  0.880  1.0
  O  O29  1  0.761  0.492  0.120  1.0
  O  O30  1  0.289  0.701  0.466  1.0
  O  O31  1  0.711  0.299  0.534  1.0
  O  O32  1  0.583  0.380  0.886  1.0
  O  O33  1  0.417  0.620  0.114  1.0
  O  O34  1  0.362  0.762  0.729  1.0
  O  O35  1  0.638  0.238  0.271  1.0
  O  O36  1  0.378  0.416  0.692  1.0
  O  O37  1  0.622  0.584  0.308  1.0
  O  O38  1  0.369  0.082  0.687  1.0
  O  O39  1  0.631  0.918  0.313  1.0
  O  O40  1  0.984  0.050  0.975  1.0
  O  O41  1  0.016  0.950  0.025  1.0
  O  O42  1  0.732  0.412  0.864  1.0
  O  O43  1  0.268  0.588  0.136  1.0
[/CIF]
.
The material structure described by CaU4O17 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(16), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are four inequivalent U sites. In the first U site, U(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(2), and one O(8) atom. In the second U site, U(2) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(6), and two equivalent O(2) atoms. In the third U site, U(3) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(1) atoms to form distorted edge-sharing UO6 octahedra. In the fourth U site, U(4) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(15), one O(7), one O(9), and two equivalent O(5) atoms. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one U(4) and two equivalent U(3) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one U(3) and two equivalent U(4) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one U(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ca(1) and one U(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(4) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one U(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one U(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one U(1), one U(2), and one O(17) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one U(1), one U(2), and one U(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one U(1) and one U(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one U(2) and one U(4) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Ca(1) and one O(16) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(12) atom. is represented by the CIF card [CIF]
data_CaU4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.281
_cell_length_b   8.812
_cell_length_c   11.852
_cell_angle_alpha   101.296
_cell_angle_beta   94.538
_cell_angle_gamma   107.866
_symmetry_Int_Tables_number   1
_cell_volume   798.213
_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  0.861  0.905  0.737  1.0
  Ca  Ca1  1  0.139  0.095  0.263  1.0
  U  U2  1  0.439  0.610  0.830  1.0
  U  U3  1  0.561  0.390  0.170  1.0
  U  U4  1  0.449  0.018  0.841  1.0
  U  U5  1  0.551  0.982  0.159  1.0
  U  U6  1  0.142  0.694  0.572  1.0
  U  U7  1  0.858  0.306  0.428  1.0
  U  U8  1  0.192  0.172  0.593  1.0
  U  U9  1  0.808  0.828  0.407  1.0
  O  O10  1  0.084  0.431  0.558  1.0
  O  O11  1  0.916  0.569  0.442  1.0
  O  O12  1  0.467  0.837  0.954  1.0
  O  O13  1  0.533  0.163  0.046  1.0
  O  O14  1  0.006  0.711  0.690  1.0
  O  O15  1  0.994  0.289  0.310  1.0
  O  O16  1  0.674  0.047  0.814  1.0
  O  O17  1  0.326  0.953  0.186  1.0
  O  O18  1  0.072  0.900  0.527  1.0
  O  O19  1  0.928  0.100  0.473  1.0
  O  O20  1  0.234  0.002  0.874  1.0
  O  O21  1  0.766  0.998  0.126  1.0
  O  O22  1  0.284  0.185  0.454  1.0
  O  O23  1  0.716  0.815  0.546  1.0
  O  O24  1  0.669  0.699  0.810  1.0
  O  O25  1  0.331  0.301  0.190  1.0
  O  O26  1  0.062  0.151  0.714  1.0
  O  O27  1  0.938  0.849  0.286  1.0
  O  O28  1  0.239  0.508  0.880  1.0
  O  O29  1  0.761  0.492  0.120  1.0
  O  O30  1  0.289  0.701  0.466  1.0
  O  O31  1  0.711  0.299  0.534  1.0
  O  O32  1  0.583  0.380  0.886  1.0
  O  O33  1  0.417  0.620  0.114  1.0
  O  O34  1  0.362  0.762  0.729  1.0
  O  O35  1  0.638  0.238  0.271  1.0
  O  O36  1  0.378  0.416  0.692  1.0
  O  O37  1  0.622  0.584  0.308  1.0
  O  O38  1  0.369  0.082  0.687  1.0
  O  O39  1  0.631  0.918  0.313  1.0
  O  O40  1  0.984  0.050  0.975  1.0
  O  O41  1  0.016  0.950  0.025  1.0
  O  O42  1  0.732  0.412  0.864  1.0
  O  O43  1  0.268  0.588  0.136  1.0
[/CIF]
.