The compound described by Cu3(WO3)4Al crystallizes in the triclinic P-1 space group. The structure consists of one 7429-90-5 atom inside a Cu3(WO3)4 framework. In the Cu3(WO3)4 framework, there are four inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 35-41°. In the third W site, W(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the fourth W site, W(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(4), and one Cu(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one W(3), one W(4), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1), one W(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(3), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.702
_cell_length_c   6.704
_cell_angle_alpha   109.581
_cell_angle_beta   108.643
_cell_angle_gamma   109.206
_symmetry_Int_Tables_number   1
_cell_volume   231.480
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  W  W5  1  0.000  0.000  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.822  0.515  0.698  1.0
  O  O9  1  0.178  0.485  0.302  1.0
  O  O10  1  0.813  0.114  0.299  1.0
  O  O11  1  0.290  0.795  0.101  1.0
  O  O12  1  0.493  0.320  0.197  1.0
  O  O13  1  0.110  0.286  0.808  1.0
  O  O14  1  0.693  0.825  0.519  1.0
  O  O15  1  0.507  0.680  0.803  1.0
  O  O16  1  0.187  0.886  0.701  1.0
  O  O17  1  0.710  0.205  0.899  1.0
  O  O18  1  0.890  0.714  0.192  1.0
  O  O19  1  0.307  0.175  0.481  1.0
[/CIF]
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The compound described by Cu3(WO3)4Al crystallizes in the triclinic P-1 space group. The structure consists of one 7429-90-5 atom inside a Cu3(WO3)4 framework. In the Cu3(WO3)4 framework, there are four inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 35-41°. In the third W site, W(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the fourth W site, W(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(4), and one Cu(3) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one W(3), one W(4), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1), one W(4), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(3), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.702
_cell_length_c   6.704
_cell_angle_alpha   109.581
_cell_angle_beta   108.643
_cell_angle_gamma   109.206
_symmetry_Int_Tables_number   1
_cell_volume   231.480
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  W  W5  1  0.000  0.000  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.822  0.515  0.698  1.0
  O  O9  1  0.178  0.485  0.302  1.0
  O  O10  1  0.813  0.114  0.299  1.0
  O  O11  1  0.290  0.795  0.101  1.0
  O  O12  1  0.493  0.320  0.197  1.0
  O  O13  1  0.110  0.286  0.808  1.0
  O  O14  1  0.693  0.825  0.519  1.0
  O  O15  1  0.507  0.680  0.803  1.0
  O  O16  1  0.187  0.886  0.701  1.0
  O  O17  1  0.710  0.205  0.899  1.0
  O  O18  1  0.890  0.714  0.192  1.0
  O  O19  1  0.307  0.175  0.481  1.0
[/CIF]
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