The crystal structure described by YCr(WO4)2 crystallizes in the triclinic P1 space group. Y(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Cr(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one W(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.857
_cell_length_c   6.110
_cell_angle_alpha   67.605
_cell_angle_beta   69.087
_cell_angle_gamma   87.677
_symmetry_Int_Tables_number   1
_cell_volume   157.655
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.968  0.223  0.902  1.0
  O  O1  1  0.698  0.693  0.165  1.0
  O  O2  1  0.738  0.463  0.698  1.0
  O  O3  1  0.622  0.207  0.206  1.0
  O  O4  1  0.832  0.040  0.591  1.0
  O  O5  1  0.206  0.975  0.125  1.0
  O  O6  1  0.272  0.769  0.615  1.0
  O  O7  1  0.311  0.236  0.606  1.0
  O  O8  1  0.132  0.412  0.205  1.0
  W  W9  1  0.705  0.395  0.415  1.0
  W  W10  1  0.230  0.060  0.380  1.0
  Y  Y11  1  0.488  0.705  0.895  1.0
[/CIF]
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The crystal structure described by YCr(WO4)2 crystallizes in the triclinic P1 space group. Y(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Cr(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Y(1), one W(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YCr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.857
_cell_length_c   6.110
_cell_angle_alpha   67.605
_cell_angle_beta   69.087
_cell_angle_gamma   87.677
_symmetry_Int_Tables_number   1
_cell_volume   157.655
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.968  0.223  0.902  1.0
  O  O1  1  0.698  0.693  0.165  1.0
  O  O2  1  0.738  0.463  0.698  1.0
  O  O3  1  0.622  0.207  0.206  1.0
  O  O4  1  0.832  0.040  0.591  1.0
  O  O5  1  0.206  0.975  0.125  1.0
  O  O6  1  0.272  0.769  0.615  1.0
  O  O7  1  0.311  0.236  0.606  1.0
  O  O8  1  0.132  0.412  0.205  1.0
  W  W9  1  0.705  0.395  0.415  1.0
  W  W10  1  0.230  0.060  0.380  1.0
  Y  Y11  1  0.488  0.705  0.895  1.0
[/CIF]
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