The material described by WO2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second W site, W(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted face, corner, and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third W site, W(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth W site, W(4) is bonded to one O(13), one O(15), one O(17), one O(19), one O(20), and one O(8) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. In the sixth W site, W(6) is bonded to one O(12), one O(18), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of face and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. In the seventh W site, W(7) is bonded to one O(16), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the eighth W site, W(8) is bonded to one O(11), one O(14), one O(18), one O(20), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the ninth W site, W(9) is bonded to one O(16), one O(17), one O(19), one O(21), one O(23), and one O(26) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the tenth W site, W(10) is bonded to one O(13), one O(14), one O(15), one O(17), one O(20), and one O(26) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the eleventh W site, W(11) is bonded to one O(13), one O(16), one O(19), one O(21), one O(26), and one O(28) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the twelfth W site, W(12) is bonded to one O(22), one O(24), one O(27), one O(29), one O(31), and one O(32) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the thirteenth W site, W(13) is bonded to one O(24), one O(25), one O(27), one O(29), one O(30), and one O(31) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fourteenth W site, W(14) is bonded to one O(21), one O(22), one O(23), one O(25), one O(28), and one O(31) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fifteenth W site, W(15) is bonded to one O(1), one O(29), one O(3), one O(30), one O(32), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the sixteenth W site, W(16) is bonded to one O(1), one O(10), one O(29), one O(3), one O(30), and one O(32) atom to form a mixture of face and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one W(15), one W(16), and one W(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one W(1) and one W(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one W(1), one W(15), and one W(16) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1), one W(15), and one W(3) atom. In the fifth O site, O(5) is bonded in a trigonal pyramidal geometry to one W(1), one W(2), one W(3), and one W(6) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one W(2), one W(6), and one W(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one W(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(4), one W(5), and one W(8) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one W(2), one W(5), and one W(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one W(1), one W(16), and one W(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(5), and one W(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one W(2), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one W(10), one W(11), and one W(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one W(10), one W(5), and one W(8) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one W(11), one W(7), and one W(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(9) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one W(5), one W(6), and one W(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one W(11), one W(4), and one W(9) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(8) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one W(11), one W(14), and one W(9) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one W(12), one W(14), and one W(7) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one W(14), one W(7), and one W(9) atom. In the twenty-fourth O site, O(24) is bonded in a water-like geometry to one W(12) and one W(13) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one W(13), one W(14), and one W(7) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one W(10), one W(11), and one W(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one W(12), one W(13), and one W(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one W(11), one W(14), and one W(7) atom. In the twenty-ninth O site, O(29) is bonded in a trigonal pyramidal geometry to one W(12), one W(13), one W(15), and one W(16) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one W(13), one W(15), and one W(16) atom. In the thirty-first O site, O(31) is bonded in a trigonal planar geometry to one W(12), one W(13), and one W(14) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one W(12), one W(15), and one W(16) atom. is represented by the CIF card [CIF]
data_WO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.728
_cell_length_c   20.318
_cell_angle_alpha   89.556
_cell_angle_beta   89.443
_cell_angle_gamma   70.026
_symmetry_Int_Tables_number   1
_cell_volume   623.816
_cell_formula_units_Z   16
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
  W  W0  1  0.773  0.747  0.877  1.0
  W  W1  1  0.457  0.954  0.747  1.0
  W  W2  1  0.249  0.272  0.876  1.0
  W  W3  1  0.747  0.253  0.495  1.0
  W  W4  1  0.250  0.241  0.614  1.0
  W  W5  1  0.767  0.266  0.744  1.0
  W  W6  1  0.260  0.760  0.257  1.0
  W  W7  1  0.749  0.749  0.615  1.0
  W  W8  1  0.756  0.754  0.376  1.0
  W  W9  1  0.249  0.754  0.496  1.0
  W  W10  1  0.255  0.255  0.376  1.0
  W  W11  1  0.756  0.776  0.138  1.0
  W  W12  1  0.276  0.257  0.138  1.0
  W  W13  1  0.760  0.261  0.256  1.0
  W  W14  1  0.965  0.463  0.009  1.0
  W  W15  1  0.277  0.777  0.005  1.0
  O  O16  1  0.314  0.427  0.965  1.0
  O  O17  1  0.114  0.610  0.839  1.0
  O  O18  1  0.928  0.812  0.965  1.0
  O  O19  1  0.880  0.381  0.915  1.0
  O  O20  1  0.612  0.110  0.825  1.0
  O  O21  1  0.808  0.914  0.702  1.0
  O  O22  1  0.640  0.622  0.791  1.0
  O  O23  1  0.593  0.104  0.568  1.0
  O  O24  1  0.418  0.302  0.702  1.0
  O  O25  1  0.414  0.914  0.923  1.0
  O  O26  1  0.382  0.871  0.652  1.0
  O  O27  1  0.122  0.137  0.791  1.0
  O  O28  1  0.400  0.402  0.449  1.0
  O  O29  1  0.095  0.607  0.572  1.0
  O  O30  1  0.088  0.111  0.542  1.0
  O  O31  1  0.107  0.607  0.330  1.0
  O  O32  1  0.906  0.898  0.450  1.0
  O  O33  1  0.902  0.393  0.665  1.0
  O  O34  1  0.902  0.402  0.422  1.0
  O  O35  1  0.594  0.604  0.541  1.0
  O  O36  1  0.609  0.108  0.330  1.0
  O  O37  1  0.909  0.910  0.212  1.0
  O  O38  1  0.610  0.609  0.303  1.0
  O  O39  1  0.616  0.114  0.099  1.0
  O  O40  1  0.409  0.410  0.212  1.0
  O  O41  1  0.403  0.902  0.422  1.0
  O  O42  1  0.405  0.907  0.184  1.0
  O  O43  1  0.109  0.110  0.303  1.0
  O  O44  1  0.119  0.617  0.087  1.0
  O  O45  1  0.146  0.123  0.051  1.0
  O  O46  1  0.910  0.412  0.179  1.0
  O  O47  1  0.624  0.646  0.051  1.0
[/CIF]
.
The material described by WO2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second W site, W(2) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted face, corner, and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third W site, W(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. In the fourth W site, W(4) is bonded to one O(13), one O(15), one O(17), one O(19), one O(20), and one O(8) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-55°. In the sixth W site, W(6) is bonded to one O(12), one O(18), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of face and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. In the seventh W site, W(7) is bonded to one O(16), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the eighth W site, W(8) is bonded to one O(11), one O(14), one O(18), one O(20), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the ninth W site, W(9) is bonded to one O(16), one O(17), one O(19), one O(21), one O(23), and one O(26) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the tenth W site, W(10) is bonded to one O(13), one O(14), one O(15), one O(17), one O(20), and one O(26) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the eleventh W site, W(11) is bonded to one O(13), one O(16), one O(19), one O(21), one O(26), and one O(28) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the twelfth W site, W(12) is bonded to one O(22), one O(24), one O(27), one O(29), one O(31), and one O(32) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the thirteenth W site, W(13) is bonded to one O(24), one O(25), one O(27), one O(29), one O(30), and one O(31) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the fourteenth W site, W(14) is bonded to one O(21), one O(22), one O(23), one O(25), one O(28), and one O(31) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fifteenth W site, W(15) is bonded to one O(1), one O(29), one O(3), one O(30), one O(32), and one O(4) atom to form a mixture of distorted face, corner, and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the sixteenth W site, W(16) is bonded to one O(1), one O(10), one O(29), one O(3), one O(30), and one O(32) atom to form a mixture of face and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one W(15), one W(16), and one W(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one W(1) and one W(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one W(1), one W(15), and one W(16) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one W(1), one W(15), and one W(3) atom. In the fifth O site, O(5) is bonded in a trigonal pyramidal geometry to one W(1), one W(2), one W(3), and one W(6) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one W(2), one W(6), and one W(8) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one W(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(4), one W(5), and one W(8) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one W(2), one W(5), and one W(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one W(1), one W(16), and one W(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(5), and one W(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one W(2), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one W(10), one W(11), and one W(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one W(10), one W(5), and one W(8) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one W(11), one W(7), and one W(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(9) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one W(5), one W(6), and one W(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one W(11), one W(4), and one W(9) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one W(10), one W(4), and one W(8) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one W(11), one W(14), and one W(9) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one W(12), one W(14), and one W(7) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one W(14), one W(7), and one W(9) atom. In the twenty-fourth O site, O(24) is bonded in a water-like geometry to one W(12) and one W(13) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one W(13), one W(14), and one W(7) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one W(10), one W(11), and one W(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one W(12), one W(13), and one W(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one W(11), one W(14), and one W(7) atom. In the twenty-ninth O site, O(29) is bonded in a trigonal pyramidal geometry to one W(12), one W(13), one W(15), and one W(16) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one W(13), one W(15), and one W(16) atom. In the thirty-first O site, O(31) is bonded in a trigonal planar geometry to one W(12), one W(13), and one W(14) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one W(12), one W(15), and one W(16) atom. is represented by the CIF card [CIF]
data_WO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.703
_cell_length_b   5.728
_cell_length_c   20.318
_cell_angle_alpha   89.556
_cell_angle_beta   89.443
_cell_angle_gamma   70.026
_symmetry_Int_Tables_number   1
_cell_volume   623.816
_cell_formula_units_Z   16
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
  W  W0  1  0.773  0.747  0.877  1.0
  W  W1  1  0.457  0.954  0.747  1.0
  W  W2  1  0.249  0.272  0.876  1.0
  W  W3  1  0.747  0.253  0.495  1.0
  W  W4  1  0.250  0.241  0.614  1.0
  W  W5  1  0.767  0.266  0.744  1.0
  W  W6  1  0.260  0.760  0.257  1.0
  W  W7  1  0.749  0.749  0.615  1.0
  W  W8  1  0.756  0.754  0.376  1.0
  W  W9  1  0.249  0.754  0.496  1.0
  W  W10  1  0.255  0.255  0.376  1.0
  W  W11  1  0.756  0.776  0.138  1.0
  W  W12  1  0.276  0.257  0.138  1.0
  W  W13  1  0.760  0.261  0.256  1.0
  W  W14  1  0.965  0.463  0.009  1.0
  W  W15  1  0.277  0.777  0.005  1.0
  O  O16  1  0.314  0.427  0.965  1.0
  O  O17  1  0.114  0.610  0.839  1.0
  O  O18  1  0.928  0.812  0.965  1.0
  O  O19  1  0.880  0.381  0.915  1.0
  O  O20  1  0.612  0.110  0.825  1.0
  O  O21  1  0.808  0.914  0.702  1.0
  O  O22  1  0.640  0.622  0.791  1.0
  O  O23  1  0.593  0.104  0.568  1.0
  O  O24  1  0.418  0.302  0.702  1.0
  O  O25  1  0.414  0.914  0.923  1.0
  O  O26  1  0.382  0.871  0.652  1.0
  O  O27  1  0.122  0.137  0.791  1.0
  O  O28  1  0.400  0.402  0.449  1.0
  O  O29  1  0.095  0.607  0.572  1.0
  O  O30  1  0.088  0.111  0.542  1.0
  O  O31  1  0.107  0.607  0.330  1.0
  O  O32  1  0.906  0.898  0.450  1.0
  O  O33  1  0.902  0.393  0.665  1.0
  O  O34  1  0.902  0.402  0.422  1.0
  O  O35  1  0.594  0.604  0.541  1.0
  O  O36  1  0.609  0.108  0.330  1.0
  O  O37  1  0.909  0.910  0.212  1.0
  O  O38  1  0.610  0.609  0.303  1.0
  O  O39  1  0.616  0.114  0.099  1.0
  O  O40  1  0.409  0.410  0.212  1.0
  O  O41  1  0.403  0.902  0.422  1.0
  O  O42  1  0.405  0.907  0.184  1.0
  O  O43  1  0.109  0.110  0.303  1.0
  O  O44  1  0.119  0.617  0.087  1.0
  O  O45  1  0.146  0.123  0.051  1.0
  O  O46  1  0.910  0.412  0.179  1.0
  O  O47  1  0.624  0.646  0.051  1.0
[/CIF]
.