The structure described by CaU(PO4)2 is Zircon-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. U(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaU(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.201
_cell_length_b   7.028
_cell_length_c   14.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.725
_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  0.894  0.750  0.620  1.0
  Ca  Ca1  1  0.394  0.250  0.880  1.0
  Ca  Ca2  1  0.106  0.250  0.380  1.0
  Ca  Ca3  1  0.606  0.750  0.120  1.0
  U  U4  1  0.130  0.750  0.872  1.0
  U  U5  1  0.630  0.250  0.628  1.0
  U  U6  1  0.870  0.250  0.128  1.0
  U  U7  1  0.370  0.750  0.372  1.0
  P  P8  1  0.400  0.750  0.629  1.0
  P  P9  1  0.900  0.250  0.871  1.0
  P  P10  1  0.600  0.250  0.371  1.0
  P  P11  1  0.100  0.750  0.129  1.0
  P  P12  1  0.628  0.750  0.873  1.0
  P  P13  1  0.128  0.250  0.627  1.0
  P  P14  1  0.372  0.250  0.127  1.0
  P  P15  1  0.872  0.750  0.373  1.0
  O  O16  1  0.773  0.750  0.962  1.0
  O  O17  1  0.273  0.250  0.538  1.0
  O  O18  1  0.227  0.250  0.038  1.0
  O  O19  1  0.727  0.750  0.462  1.0
  O  O20  1  0.794  0.750  0.790  1.0
  O  O21  1  0.294  0.250  0.710  1.0
  O  O22  1  0.206  0.250  0.210  1.0
  O  O23  1  0.706  0.750  0.290  1.0
  O  O24  1  0.531  0.422  0.129  1.0
  O  O25  1  0.031  0.578  0.371  1.0
  O  O26  1  0.469  0.922  0.871  1.0
  O  O27  1  0.969  0.078  0.629  1.0
  O  O28  1  0.469  0.578  0.871  1.0
  O  O29  1  0.969  0.422  0.629  1.0
  O  O30  1  0.531  0.078  0.129  1.0
  O  O31  1  0.031  0.922  0.371  1.0
  O  O32  1  0.270  0.750  0.209  1.0
  O  O33  1  0.770  0.250  0.291  1.0
  O  O34  1  0.730  0.250  0.791  1.0
  O  O35  1  0.230  0.750  0.709  1.0
  O  O36  1  0.226  0.750  0.033  1.0
  O  O37  1  0.726  0.250  0.467  1.0
  O  O38  1  0.774  0.250  0.967  1.0
  O  O39  1  0.274  0.750  0.533  1.0
  O  O40  1  0.950  0.927  0.134  1.0
  O  O41  1  0.450  0.073  0.366  1.0
  O  O42  1  0.050  0.427  0.866  1.0
  O  O43  1  0.550  0.573  0.634  1.0
  O  O44  1  0.050  0.073  0.866  1.0
  O  O45  1  0.550  0.927  0.634  1.0
  O  O46  1  0.950  0.573  0.134  1.0
  O  O47  1  0.450  0.427  0.366  1.0
[/CIF]
.
The structure described by CaU(PO4)2 is Zircon-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. U(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaU(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.201
_cell_length_b   7.028
_cell_length_c   14.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.725
_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  0.894  0.750  0.620  1.0
  Ca  Ca1  1  0.394  0.250  0.880  1.0
  Ca  Ca2  1  0.106  0.250  0.380  1.0
  Ca  Ca3  1  0.606  0.750  0.120  1.0
  U  U4  1  0.130  0.750  0.872  1.0
  U  U5  1  0.630  0.250  0.628  1.0
  U  U6  1  0.870  0.250  0.128  1.0
  U  U7  1  0.370  0.750  0.372  1.0
  P  P8  1  0.400  0.750  0.629  1.0
  P  P9  1  0.900  0.250  0.871  1.0
  P  P10  1  0.600  0.250  0.371  1.0
  P  P11  1  0.100  0.750  0.129  1.0
  P  P12  1  0.628  0.750  0.873  1.0
  P  P13  1  0.128  0.250  0.627  1.0
  P  P14  1  0.372  0.250  0.127  1.0
  P  P15  1  0.872  0.750  0.373  1.0
  O  O16  1  0.773  0.750  0.962  1.0
  O  O17  1  0.273  0.250  0.538  1.0
  O  O18  1  0.227  0.250  0.038  1.0
  O  O19  1  0.727  0.750  0.462  1.0
  O  O20  1  0.794  0.750  0.790  1.0
  O  O21  1  0.294  0.250  0.710  1.0
  O  O22  1  0.206  0.250  0.210  1.0
  O  O23  1  0.706  0.750  0.290  1.0
  O  O24  1  0.531  0.422  0.129  1.0
  O  O25  1  0.031  0.578  0.371  1.0
  O  O26  1  0.469  0.922  0.871  1.0
  O  O27  1  0.969  0.078  0.629  1.0
  O  O28  1  0.469  0.578  0.871  1.0
  O  O29  1  0.969  0.422  0.629  1.0
  O  O30  1  0.531  0.078  0.129  1.0
  O  O31  1  0.031  0.922  0.371  1.0
  O  O32  1  0.270  0.750  0.209  1.0
  O  O33  1  0.770  0.250  0.291  1.0
  O  O34  1  0.730  0.250  0.791  1.0
  O  O35  1  0.230  0.750  0.709  1.0
  O  O36  1  0.226  0.750  0.033  1.0
  O  O37  1  0.726  0.250  0.467  1.0
  O  O38  1  0.774  0.250  0.967  1.0
  O  O39  1  0.274  0.750  0.533  1.0
  O  O40  1  0.950  0.927  0.134  1.0
  O  O41  1  0.450  0.073  0.366  1.0
  O  O42  1  0.050  0.427  0.866  1.0
  O  O43  1  0.550  0.573  0.634  1.0
  O  O44  1  0.050  0.073  0.866  1.0
  O  O45  1  0.550  0.927  0.634  1.0
  O  O46  1  0.950  0.573  0.134  1.0
  O  O47  1  0.450  0.427  0.366  1.0
[/CIF]
.