The compound described by CaW3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent W(1)O6 octahedra, corners with two equivalent W(2)O5 square pyramids, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one W(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form WO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the third W site, W(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent W(2)O5 square pyramids, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 38°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(3)O6 octahedra,  a cornercorner with one W(2)O5 square pyramid, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one W(2)O5 square pyramid, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent W(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one W(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one W(1) and two equivalent W(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted single-bond geometry to one Ca(1), one W(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP3W3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   7.863
_cell_length_c   10.755
_cell_angle_alpha   80.565
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.790
_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  0.750  0.353  0.194  1.0
  Ca  Ca1  1  0.250  0.647  0.806  1.0
  P  P2  1  0.250  0.786  0.495  1.0
  P  P3  1  0.750  0.214  0.505  1.0
  P  P4  1  0.250  0.263  0.767  1.0
  P  P5  1  0.750  0.737  0.233  1.0
  P  P6  1  0.750  0.683  0.888  1.0
  P  P7  1  0.250  0.317  0.112  1.0
  W  W8  1  0.250  0.639  0.206  1.0
  W  W9  1  0.750  0.361  0.794  1.0
  W  W10  1  0.250  0.230  0.442  1.0
  W  W11  1  0.500  0.000  0.000  1.0
  W  W12  1  0.750  0.770  0.558  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.750  0.646  0.748  1.0
  O  O15  1  0.569  0.249  0.413  1.0
  O  O16  1  0.250  0.197  0.642  1.0
  O  O17  1  0.554  0.780  0.904  1.0
  O  O18  1  0.750  0.346  0.597  1.0
  O  O19  1  0.750  0.121  0.904  1.0
  O  O20  1  0.250  0.654  0.403  1.0
  O  O21  1  0.054  0.220  0.096  1.0
  O  O22  1  0.250  0.970  0.418  1.0
  O  O23  1  0.750  0.030  0.582  1.0
  O  O24  1  0.071  0.381  0.787  1.0
  O  O25  1  0.250  0.879  0.096  1.0
  O  O26  1  0.571  0.619  0.213  1.0
  O  O27  1  0.750  0.497  0.966  1.0
  O  O28  1  0.750  0.803  0.358  1.0
  O  O29  1  0.446  0.220  0.096  1.0
  O  O30  1  0.931  0.249  0.413  1.0
  O  O31  1  0.431  0.751  0.587  1.0
  O  O32  1  0.429  0.381  0.787  1.0
  O  O33  1  0.250  0.354  0.252  1.0
  O  O34  1  0.750  0.902  0.126  1.0
  O  O35  1  0.250  0.098  0.874  1.0
  O  O36  1  0.929  0.619  0.213  1.0
  O  O37  1  0.946  0.780  0.904  1.0
  O  O38  1  0.069  0.751  0.587  1.0
  O  O39  1  0.250  0.503  0.034  1.0
[/CIF]
.
The compound described by CaW3P3O13 crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted CaO7 pentagonal bipyramids that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent W(1)O6 octahedra, corners with two equivalent W(2)O5 square pyramids, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one W(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form WO5 square pyramids that share  a cornercorner with one W(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the third W site, W(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent Ca(1)O7 pentagonal bipyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one W(1)O6 octahedra, corners with three equivalent W(2)O5 square pyramids, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 38°. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(3)O6 octahedra,  a cornercorner with one W(2)O5 square pyramid, and  an edgeedge with one Ca(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent W(3)O6 octahedra, corners with three equivalent Ca(1)O7 pentagonal bipyramids,  a cornercorner with one W(2)O5 square pyramid, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent W(3) and one P(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one P(3) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one W(3), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one W(1) and two equivalent W(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a distorted single-bond geometry to one Ca(1), one W(1), and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP3W3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.722
_cell_length_b   7.863
_cell_length_c   10.755
_cell_angle_alpha   80.565
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   560.790
_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  0.750  0.353  0.194  1.0
  Ca  Ca1  1  0.250  0.647  0.806  1.0
  P  P2  1  0.250  0.786  0.495  1.0
  P  P3  1  0.750  0.214  0.505  1.0
  P  P4  1  0.250  0.263  0.767  1.0
  P  P5  1  0.750  0.737  0.233  1.0
  P  P6  1  0.750  0.683  0.888  1.0
  P  P7  1  0.250  0.317  0.112  1.0
  W  W8  1  0.250  0.639  0.206  1.0
  W  W9  1  0.750  0.361  0.794  1.0
  W  W10  1  0.250  0.230  0.442  1.0
  W  W11  1  0.500  0.000  0.000  1.0
  W  W12  1  0.750  0.770  0.558  1.0
  W  W13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.750  0.646  0.748  1.0
  O  O15  1  0.569  0.249  0.413  1.0
  O  O16  1  0.250  0.197  0.642  1.0
  O  O17  1  0.554  0.780  0.904  1.0
  O  O18  1  0.750  0.346  0.597  1.0
  O  O19  1  0.750  0.121  0.904  1.0
  O  O20  1  0.250  0.654  0.403  1.0
  O  O21  1  0.054  0.220  0.096  1.0
  O  O22  1  0.250  0.970  0.418  1.0
  O  O23  1  0.750  0.030  0.582  1.0
  O  O24  1  0.071  0.381  0.787  1.0
  O  O25  1  0.250  0.879  0.096  1.0
  O  O26  1  0.571  0.619  0.213  1.0
  O  O27  1  0.750  0.497  0.966  1.0
  O  O28  1  0.750  0.803  0.358  1.0
  O  O29  1  0.446  0.220  0.096  1.0
  O  O30  1  0.931  0.249  0.413  1.0
  O  O31  1  0.431  0.751  0.587  1.0
  O  O32  1  0.429  0.381  0.787  1.0
  O  O33  1  0.250  0.354  0.252  1.0
  O  O34  1  0.750  0.902  0.126  1.0
  O  O35  1  0.250  0.098  0.874  1.0
  O  O36  1  0.929  0.619  0.213  1.0
  O  O37  1  0.946  0.780  0.904  1.0
  O  O38  1  0.069  0.751  0.587  1.0
  O  O39  1  0.250  0.503  0.034  1.0
[/CIF]
.