The compound described by V4Al(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the second V site, V(2) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(9) atom. Al(1) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Cu(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one Cu(3), and one Al(1) atom. In the third O site, O(3) is bonded to one V(2), one V(4), one Cu(3), and one Al(1) atom to form distorted edge-sharing OAlV2Cu trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(4), and one Cu(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Cu(2) atom. In the eleventh O site, O(11) is bonded to one V(2), one V(3), one Cu(1), and one Al(1) atom to form distorted edge-sharing OAlV2Cu tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Cu(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.349
_cell_length_c   6.574
_cell_angle_alpha   109.802
_cell_angle_beta   109.794
_cell_angle_gamma   107.945
_symmetry_Int_Tables_number   1
_cell_volume   208.255
_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  0.014  0.953  0.838  1.0
  V  V1  1  0.518  0.012  0.013  1.0
  V  V2  1  0.999  0.005  0.457  1.0
  V  V3  1  0.995  0.500  0.012  1.0
  V  V4  1  0.494  0.489  0.498  1.0
  Cu  Cu5  1  0.514  0.001  0.522  1.0
  Cu  Cu6  1  0.495  0.496  0.004  1.0
  Cu  Cu7  1  0.995  0.505  0.505  1.0
  O  O8  1  0.813  0.312  0.135  1.0
  O  O9  1  0.152  0.744  0.897  1.0
  O  O10  1  0.820  0.704  0.516  1.0
  O  O11  1  0.310  0.489  0.191  1.0
  O  O12  1  0.499  0.191  0.333  1.0
  O  O13  1  0.134  0.835  0.328  1.0
  O  O14  1  0.700  0.872  0.191  1.0
  O  O15  1  0.519  0.811  0.704  1.0
  O  O16  1  0.168  0.307  0.492  1.0
  O  O17  1  0.681  0.503  0.819  1.0
  O  O18  1  0.891  0.153  0.726  1.0
  O  O19  1  0.288  0.121  0.818  1.0
[/CIF]
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The compound described by V4Al(CuO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the second V site, V(2) is bonded to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(11), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(10), one O(12), one O(4), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(9) atom. Al(1) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Cu(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one Cu(3), and one Al(1) atom. In the third O site, O(3) is bonded to one V(2), one V(4), one Cu(3), and one Al(1) atom to form distorted edge-sharing OAlV2Cu trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(4), and one Cu(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(2), one V(4), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Cu(2) atom. In the eleventh O site, O(11) is bonded to one V(2), one V(3), one Cu(1), and one Al(1) atom to form distorted edge-sharing OAlV2Cu tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Cu(2), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlV4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   6.349
_cell_length_c   6.574
_cell_angle_alpha   109.802
_cell_angle_beta   109.794
_cell_angle_gamma   107.945
_symmetry_Int_Tables_number   1
_cell_volume   208.255
_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  0.014  0.953  0.838  1.0
  V  V1  1  0.518  0.012  0.013  1.0
  V  V2  1  0.999  0.005  0.457  1.0
  V  V3  1  0.995  0.500  0.012  1.0
  V  V4  1  0.494  0.489  0.498  1.0
  Cu  Cu5  1  0.514  0.001  0.522  1.0
  Cu  Cu6  1  0.495  0.496  0.004  1.0
  Cu  Cu7  1  0.995  0.505  0.505  1.0
  O  O8  1  0.813  0.312  0.135  1.0
  O  O9  1  0.152  0.744  0.897  1.0
  O  O10  1  0.820  0.704  0.516  1.0
  O  O11  1  0.310  0.489  0.191  1.0
  O  O12  1  0.499  0.191  0.333  1.0
  O  O13  1  0.134  0.835  0.328  1.0
  O  O14  1  0.700  0.872  0.191  1.0
  O  O15  1  0.519  0.811  0.704  1.0
  O  O16  1  0.168  0.307  0.492  1.0
  O  O17  1  0.681  0.503  0.819  1.0
  O  O18  1  0.891  0.153  0.726  1.0
  O  O19  1  0.288  0.121  0.818  1.0
[/CIF]
.