The material described by CaWP2O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. W(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ca(1), one W(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ca(1), one W(1), and one P(2) atom. is represented by the CIF file [CIF]
data_CaP2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.768
_cell_length_c   7.370
_cell_angle_alpha   80.846
_cell_angle_beta   68.505
_cell_angle_gamma   83.077
_symmetry_Int_Tables_number   1
_cell_volume   303.639
_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  0.719  0.156  0.861  1.0
  Ca  Ca1  1  0.281  0.844  0.139  1.0
  P  P2  1  0.763  0.822  0.265  1.0
  P  P3  1  0.237  0.178  0.735  1.0
  P  P4  1  0.374  0.347  0.312  1.0
  P  P5  1  0.626  0.653  0.688  1.0
  W  W6  1  0.903  0.309  0.239  1.0
  W  W7  1  0.097  0.691  0.761  1.0
  O  O8  1  0.403  0.227  0.514  1.0
  O  O9  1  0.597  0.773  0.486  1.0
  O  O10  1  0.914  0.983  0.261  1.0
  O  O11  1  0.086  0.017  0.739  1.0
  O  O12  1  0.707  0.439  0.653  1.0
  O  O13  1  0.293  0.561  0.347  1.0
  O  O14  1  0.391  0.672  0.839  1.0
  O  O15  1  0.609  0.328  0.161  1.0
  O  O16  1  0.378  0.102  0.858  1.0
  O  O17  1  0.622  0.898  0.142  1.0
  O  O18  1  0.084  0.364  0.797  1.0
  O  O19  1  0.916  0.636  0.203  1.0
  O  O20  1  0.778  0.772  0.737  1.0
  O  O21  1  0.222  0.228  0.263  1.0
[/CIF]
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The material described by CaWP2O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms. W(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one W(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one W(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ca(1), one W(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ca(1), one W(1), and one P(2) atom. is represented by the CIF file [CIF]
data_CaP2WO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.768
_cell_length_c   7.370
_cell_angle_alpha   80.846
_cell_angle_beta   68.505
_cell_angle_gamma   83.077
_symmetry_Int_Tables_number   1
_cell_volume   303.639
_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  0.719  0.156  0.861  1.0
  Ca  Ca1  1  0.281  0.844  0.139  1.0
  P  P2  1  0.763  0.822  0.265  1.0
  P  P3  1  0.237  0.178  0.735  1.0
  P  P4  1  0.374  0.347  0.312  1.0
  P  P5  1  0.626  0.653  0.688  1.0
  W  W6  1  0.903  0.309  0.239  1.0
  W  W7  1  0.097  0.691  0.761  1.0
  O  O8  1  0.403  0.227  0.514  1.0
  O  O9  1  0.597  0.773  0.486  1.0
  O  O10  1  0.914  0.983  0.261  1.0
  O  O11  1  0.086  0.017  0.739  1.0
  O  O12  1  0.707  0.439  0.653  1.0
  O  O13  1  0.293  0.561  0.347  1.0
  O  O14  1  0.391  0.672  0.839  1.0
  O  O15  1  0.609  0.328  0.161  1.0
  O  O16  1  0.378  0.102  0.858  1.0
  O  O17  1  0.622  0.898  0.142  1.0
  O  O18  1  0.084  0.364  0.797  1.0
  O  O19  1  0.916  0.636  0.203  1.0
  O  O20  1  0.778  0.772  0.737  1.0
  O  O21  1  0.222  0.228  0.263  1.0
[/CIF]
.