The material described by YWC2 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to three equivalent C(2) and four equivalent C(1) atoms to form distorted YC7 pentagonal bipyramids that share corners with four equivalent Y(1)C7 pentagonal bipyramids, corners with three equivalent W(1)C5 trigonal bipyramids, edges with four equivalent Y(1)C7 pentagonal bipyramids, edges with seven equivalent W(1)C5 trigonal bipyramids, and faces with two equivalent Y(1)C7 pentagonal bipyramids. W(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form WC5 trigonal bipyramids that share corners with three equivalent Y(1)C7 pentagonal bipyramids, corners with four equivalent W(1)C5 trigonal bipyramids, edges with seven equivalent Y(1)C7 pentagonal bipyramids, and edges with two equivalent W(1)C5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Y(1) and two equivalent W(1) atoms to form CY4W2 octahedra that share corners with four equivalent C(1)Y4W2 octahedra, corners with nine equivalent C(2)Y3W3 octahedra, edges with two equivalent C(1)Y4W2 octahedra, edges with three equivalent C(2)Y3W3 octahedra,  a faceface with one C(2)Y3W3 octahedra, and faces with two equivalent C(1)Y4W2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. In the second C site, C(2) is bonded to three equivalent Y(1) and three equivalent W(1) atoms to form CY3W3 octahedra that share corners with nine equivalent C(1)Y4W2 octahedra, edges with three equivalent C(1)Y4W2 octahedra, edges with six equivalent C(2)Y3W3 octahedra, and  a faceface with one C(1)Y4W2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. is represented by the CIF card [CIF]
data_YWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.382
_cell_length_b   5.722
_cell_length_c   10.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.631
_cell_formula_units_Z   4
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
  Y  Y0  1  0.250  0.086  0.863  1.0
  Y  Y1  1  0.250  0.586  0.637  1.0
  Y  Y2  1  0.750  0.914  0.137  1.0
  Y  Y3  1  0.750  0.414  0.363  1.0
  W  W4  1  0.250  0.403  0.111  1.0
  W  W5  1  0.250  0.903  0.389  1.0
  W  W6  1  0.750  0.597  0.889  1.0
  W  W7  1  0.750  0.097  0.611  1.0
  C  C8  1  0.250  0.159  0.247  1.0
  C  C9  1  0.250  0.659  0.253  1.0
  C  C10  1  0.750  0.841  0.753  1.0
  C  C11  1  0.750  0.341  0.747  1.0
  C  C12  1  0.250  0.721  0.982  1.0
  C  C13  1  0.250  0.221  0.518  1.0
  C  C14  1  0.750  0.279  0.018  1.0
  C  C15  1  0.750  0.779  0.482  1.0
[/CIF]
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The material described by YWC2 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to three equivalent C(2) and four equivalent C(1) atoms to form distorted YC7 pentagonal bipyramids that share corners with four equivalent Y(1)C7 pentagonal bipyramids, corners with three equivalent W(1)C5 trigonal bipyramids, edges with four equivalent Y(1)C7 pentagonal bipyramids, edges with seven equivalent W(1)C5 trigonal bipyramids, and faces with two equivalent Y(1)C7 pentagonal bipyramids. W(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form WC5 trigonal bipyramids that share corners with three equivalent Y(1)C7 pentagonal bipyramids, corners with four equivalent W(1)C5 trigonal bipyramids, edges with seven equivalent Y(1)C7 pentagonal bipyramids, and edges with two equivalent W(1)C5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Y(1) and two equivalent W(1) atoms to form CY4W2 octahedra that share corners with four equivalent C(1)Y4W2 octahedra, corners with nine equivalent C(2)Y3W3 octahedra, edges with two equivalent C(1)Y4W2 octahedra, edges with three equivalent C(2)Y3W3 octahedra,  a faceface with one C(2)Y3W3 octahedra, and faces with two equivalent C(1)Y4W2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. In the second C site, C(2) is bonded to three equivalent Y(1) and three equivalent W(1) atoms to form CY3W3 octahedra that share corners with nine equivalent C(1)Y4W2 octahedra, edges with three equivalent C(1)Y4W2 octahedra, edges with six equivalent C(2)Y3W3 octahedra, and  a faceface with one C(1)Y4W2 octahedra. The corner-sharing octahedral tilt angles range from 9-60°. is represented by the CIF card [CIF]
data_YWC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.382
_cell_length_b   5.722
_cell_length_c   10.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.631
_cell_formula_units_Z   4
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
  Y  Y0  1  0.250  0.086  0.863  1.0
  Y  Y1  1  0.250  0.586  0.637  1.0
  Y  Y2  1  0.750  0.914  0.137  1.0
  Y  Y3  1  0.750  0.414  0.363  1.0
  W  W4  1  0.250  0.403  0.111  1.0
  W  W5  1  0.250  0.903  0.389  1.0
  W  W6  1  0.750  0.597  0.889  1.0
  W  W7  1  0.750  0.097  0.611  1.0
  C  C8  1  0.250  0.159  0.247  1.0
  C  C9  1  0.250  0.659  0.253  1.0
  C  C10  1  0.750  0.841  0.753  1.0
  C  C11  1  0.750  0.341  0.747  1.0
  C  C12  1  0.250  0.721  0.982  1.0
  C  C13  1  0.250  0.221  0.518  1.0
  C  C14  1  0.750  0.279  0.018  1.0
  C  C15  1  0.750  0.779  0.482  1.0
[/CIF]
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