The material described by CaW2O7 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CaO5 trigonal bipyramids that share corners with two equivalent W(2)O4 tetrahedra, corners with three equivalent W(1)O4 tetrahedra, and corners with two equivalent Ca(1)O5 trigonal bipyramids. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form WO4 tetrahedra that share  a cornercorner with one W(2)O4 tetrahedra and corners with three equivalent Ca(1)O5 trigonal bipyramids. In the second W site, W(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form WO4 tetrahedra that share  a cornercorner with one W(1)O4 tetrahedra and corners with two equivalent Ca(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one W(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one W(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_CaW2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.118
_cell_length_b   6.844
_cell_length_c   8.726
_cell_angle_alpha   73.591
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.764
_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  0.128  0.121  0.360  1.0
  Ca  Ca1  1  0.628  0.879  0.640  1.0
  W  W2  1  0.151  0.893  0.792  1.0
  W  W3  1  0.651  0.107  0.208  1.0
  W  W4  1  0.679  0.329  0.796  1.0
  W  W5  1  0.179  0.671  0.204  1.0
  O  O6  1  0.353  0.619  0.352  1.0
  O  O7  1  0.853  0.381  0.648  1.0
  O  O8  1  0.782  0.053  0.398  1.0
  O  O9  1  0.282  0.947  0.602  1.0
  O  O10  1  0.029  0.451  0.250  1.0
  O  O11  1  0.529  0.549  0.750  1.0
  O  O12  1  0.424  0.199  0.246  1.0
  O  O13  1  0.924  0.801  0.754  1.0
  O  O14  1  0.057  0.898  0.217  1.0
  O  O15  1  0.557  0.102  0.783  1.0
  O  O16  1  0.262  0.719  0.984  1.0
  O  O17  1  0.762  0.281  0.016  1.0
  O  O18  1  0.109  0.123  0.833  1.0
  O  O19  1  0.609  0.877  0.167  1.0
[/CIF]
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The material described by CaW2O7 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CaO5 trigonal bipyramids that share corners with two equivalent W(2)O4 tetrahedra, corners with three equivalent W(1)O4 tetrahedra, and corners with two equivalent Ca(1)O5 trigonal bipyramids. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form WO4 tetrahedra that share  a cornercorner with one W(2)O4 tetrahedra and corners with three equivalent Ca(1)O5 trigonal bipyramids. In the second W site, W(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form WO4 tetrahedra that share  a cornercorner with one W(1)O4 tetrahedra and corners with two equivalent Ca(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one W(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ca(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one W(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one W(1) atom. is represented by the CIF card [CIF]
data_CaW2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.118
_cell_length_b   6.844
_cell_length_c   8.726
_cell_angle_alpha   73.591
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.764
_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  0.128  0.121  0.360  1.0
  Ca  Ca1  1  0.628  0.879  0.640  1.0
  W  W2  1  0.151  0.893  0.792  1.0
  W  W3  1  0.651  0.107  0.208  1.0
  W  W4  1  0.679  0.329  0.796  1.0
  W  W5  1  0.179  0.671  0.204  1.0
  O  O6  1  0.353  0.619  0.352  1.0
  O  O7  1  0.853  0.381  0.648  1.0
  O  O8  1  0.782  0.053  0.398  1.0
  O  O9  1  0.282  0.947  0.602  1.0
  O  O10  1  0.029  0.451  0.250  1.0
  O  O11  1  0.529  0.549  0.750  1.0
  O  O12  1  0.424  0.199  0.246  1.0
  O  O13  1  0.924  0.801  0.754  1.0
  O  O14  1  0.057  0.898  0.217  1.0
  O  O15  1  0.557  0.102  0.783  1.0
  O  O16  1  0.262  0.719  0.984  1.0
  O  O17  1  0.762  0.281  0.016  1.0
  O  O18  1  0.109  0.123  0.833  1.0
  O  O19  1  0.609  0.877  0.167  1.0
[/CIF]
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