The structure described by Ca2YWO5 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form YO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. W(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with four equivalent O(2)Ca2YW trigonal pyramids, and corners with four equivalent O(3)Ca2YW trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one W(1) atom to form distorted OCa2YW trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YW trigonal pyramids, and corners with two equivalent O(3)Ca2YW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(2), one Y(1), and one W(1) atom to form distorted OCa2YW trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YW trigonal pyramids, and corners with two equivalent O(3)Ca2YW trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_Ca2YWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.739
_cell_length_b   8.739
_cell_length_c   5.836
_cell_angle_alpha   70.995
_cell_angle_beta   70.995
_cell_angle_gamma   40.016
_symmetry_Int_Tables_number   1
_cell_volume   268.821
_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  0.585  0.127  0.912  1.0
  Ca  Ca1  1  0.871  0.414  0.633  1.0
  Ca  Ca2  1  0.414  0.871  0.133  1.0
  Ca  Ca3  1  0.127  0.585  0.412  1.0
  Y  Y4  1  0.201  0.798  0.803  1.0
  Y  Y5  1  0.798  0.201  0.303  1.0
  W  W6  1  0.498  1.000  0.483  1.0
  W  W7  1  1.000  0.498  0.983  1.0
  O  O8  1  0.144  0.854  0.180  1.0
  O  O9  1  0.854  0.144  0.680  1.0
  O  O10  1  0.523  0.246  0.299  1.0
  O  O11  1  0.476  0.751  0.567  1.0
  O  O12  1  0.246  0.523  0.799  1.0
  O  O13  1  0.751  0.476  0.067  1.0
  O  O14  1  0.190  0.229  0.290  1.0
  O  O15  1  0.792  0.782  0.199  1.0
  O  O16  1  0.782  0.792  0.699  1.0
  O  O17  1  0.229  0.190  0.790  1.0
[/CIF]
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The structure described by Ca2YWO5 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. Y(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form YO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. W(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with two equivalent Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(2), and two equivalent Y(1) atoms to form OCa2Y2 tetrahedra that share corners with two equivalent O(1)Ca2Y2 tetrahedra, corners with four equivalent O(2)Ca2YW trigonal pyramids, and corners with four equivalent O(3)Ca2YW trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1), one Y(1), and one W(1) atom to form distorted OCa2YW trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YW trigonal pyramids, and corners with two equivalent O(3)Ca2YW trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Ca(2), one Y(1), and one W(1) atom to form distorted OCa2YW trigonal pyramids that share corners with four equivalent O(1)Ca2Y2 tetrahedra, corners with two equivalent O(2)Ca2YW trigonal pyramids, and corners with two equivalent O(3)Ca2YW trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_Ca2YWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.739
_cell_length_b   8.739
_cell_length_c   5.836
_cell_angle_alpha   70.995
_cell_angle_beta   70.995
_cell_angle_gamma   40.016
_symmetry_Int_Tables_number   1
_cell_volume   268.821
_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  0.585  0.127  0.912  1.0
  Ca  Ca1  1  0.871  0.414  0.633  1.0
  Ca  Ca2  1  0.414  0.871  0.133  1.0
  Ca  Ca3  1  0.127  0.585  0.412  1.0
  Y  Y4  1  0.201  0.798  0.803  1.0
  Y  Y5  1  0.798  0.201  0.303  1.0
  W  W6  1  0.498  1.000  0.483  1.0
  W  W7  1  1.000  0.498  0.983  1.0
  O  O8  1  0.144  0.854  0.180  1.0
  O  O9  1  0.854  0.144  0.680  1.0
  O  O10  1  0.523  0.246  0.299  1.0
  O  O11  1  0.476  0.751  0.567  1.0
  O  O12  1  0.246  0.523  0.799  1.0
  O  O13  1  0.751  0.476  0.067  1.0
  O  O14  1  0.190  0.229  0.290  1.0
  O  O15  1  0.792  0.782  0.199  1.0
  O  O16  1  0.782  0.792  0.699  1.0
  O  O17  1  0.229  0.190  0.790  1.0
[/CIF]
.