The material described by CaU3Ti8O24 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the second U site, U(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the second Ti site, Ti(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-67°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-66°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one U(2), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(4) atom. is represented by the CIF card [CIF]
data_CaU3Ti8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.505
_cell_length_b   7.858
_cell_length_c   8.458
_cell_angle_alpha   98.932
_cell_angle_beta   111.530
_cell_angle_gamma   94.834
_symmetry_Int_Tables_number   1
_cell_volume   452.873
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  U  U1  1  0.750  0.248  0.251  1.0
  U  U2  1  0.500  0.500  0.500  1.0
  U  U3  1  0.250  0.752  0.749  1.0
  Ti  Ti4  1  0.935  0.322  0.720  1.0
  Ti  Ti5  1  0.178  0.078  0.459  1.0
  Ti  Ti6  1  0.683  0.577  0.967  1.0
  Ti  Ti7  1  0.429  0.827  0.209  1.0
  Ti  Ti8  1  0.065  0.678  0.280  1.0
  Ti  Ti9  1  0.317  0.423  0.033  1.0
  Ti  Ti10  1  0.822  0.922  0.541  1.0
  Ti  Ti11  1  0.571  0.173  0.791  1.0
  O  O12  1  0.750  0.407  0.812  1.0
  O  O13  1  0.003  0.155  0.569  1.0
  O  O14  1  0.507  0.656  0.067  1.0
  O  O15  1  0.256  0.906  0.318  1.0
  O  O16  1  0.250  0.593  0.188  1.0
  O  O17  1  0.493  0.344  0.933  1.0
  O  O18  1  0.997  0.845  0.431  1.0
  O  O19  1  0.744  0.094  0.682  1.0
  O  O20  1  0.146  0.513  0.805  1.0
  O  O21  1  0.395  0.258  0.557  1.0
  O  O22  1  0.895  0.745  0.065  1.0
  O  O23  1  0.646  0.007  0.307  1.0
  O  O24  1  0.854  0.487  0.195  1.0
  O  O25  1  0.105  0.255  0.935  1.0
  O  O26  1  0.605  0.742  0.443  1.0
  O  O27  1  0.354  0.993  0.693  1.0
  O  O28  1  0.783  0.405  0.509  1.0
  O  O29  1  0.031  0.167  0.273  1.0
  O  O30  1  0.531  0.659  0.762  1.0
  O  O31  1  0.295  0.901  0.008  1.0
  O  O32  1  0.217  0.595  0.491  1.0
  O  O33  1  0.469  0.341  0.238  1.0
  O  O34  1  0.969  0.833  0.727  1.0
  O  O35  1  0.705  0.099  0.992  1.0
[/CIF]
.
The material described by CaU3Ti8O24 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the second U site, U(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the second Ti site, Ti(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-67°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-66°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one U(2), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(4) atom. is represented by the CIF card [CIF]
data_CaU3Ti8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.505
_cell_length_b   7.858
_cell_length_c   8.458
_cell_angle_alpha   98.932
_cell_angle_beta   111.530
_cell_angle_gamma   94.834
_symmetry_Int_Tables_number   1
_cell_volume   452.873
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  U  U1  1  0.750  0.248  0.251  1.0
  U  U2  1  0.500  0.500  0.500  1.0
  U  U3  1  0.250  0.752  0.749  1.0
  Ti  Ti4  1  0.935  0.322  0.720  1.0
  Ti  Ti5  1  0.178  0.078  0.459  1.0
  Ti  Ti6  1  0.683  0.577  0.967  1.0
  Ti  Ti7  1  0.429  0.827  0.209  1.0
  Ti  Ti8  1  0.065  0.678  0.280  1.0
  Ti  Ti9  1  0.317  0.423  0.033  1.0
  Ti  Ti10  1  0.822  0.922  0.541  1.0
  Ti  Ti11  1  0.571  0.173  0.791  1.0
  O  O12  1  0.750  0.407  0.812  1.0
  O  O13  1  0.003  0.155  0.569  1.0
  O  O14  1  0.507  0.656  0.067  1.0
  O  O15  1  0.256  0.906  0.318  1.0
  O  O16  1  0.250  0.593  0.188  1.0
  O  O17  1  0.493  0.344  0.933  1.0
  O  O18  1  0.997  0.845  0.431  1.0
  O  O19  1  0.744  0.094  0.682  1.0
  O  O20  1  0.146  0.513  0.805  1.0
  O  O21  1  0.395  0.258  0.557  1.0
  O  O22  1  0.895  0.745  0.065  1.0
  O  O23  1  0.646  0.007  0.307  1.0
  O  O24  1  0.854  0.487  0.195  1.0
  O  O25  1  0.105  0.255  0.935  1.0
  O  O26  1  0.605  0.742  0.443  1.0
  O  O27  1  0.354  0.993  0.693  1.0
  O  O28  1  0.783  0.405  0.509  1.0
  O  O29  1  0.031  0.167  0.273  1.0
  O  O30  1  0.531  0.659  0.762  1.0
  O  O31  1  0.295  0.901  0.008  1.0
  O  O32  1  0.217  0.595  0.491  1.0
  O  O33  1  0.469  0.341  0.238  1.0
  O  O34  1  0.969  0.833  0.727  1.0
  O  O35  1  0.705  0.099  0.992  1.0
[/CIF]
.