The compound described by V4CuO11 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and two equivalent O(9) atoms. Cu(1) is bonded to one O(1), one O(11), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing CuO6 octahedra. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), one V(3), and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Cu(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom. is represented by the CIF card [CIF]
data_V4CuO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.603
_cell_length_b   7.379
_cell_length_c   7.800
_cell_angle_alpha   105.234
_cell_angle_beta   103.353
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.270
_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
  V  V0  1  0.089  0.137  0.178  1.0
  V  V1  1  0.532  0.454  0.064  1.0
  V  V2  1  0.751  0.465  0.503  1.0
  V  V3  1  0.302  0.135  0.603  1.0
  Cu  Cu4  1  0.418  0.791  0.836  1.0
  O  O5  1  0.509  0.665  0.017  1.0
  O  O6  1  0.421  0.301  0.841  1.0
  O  O7  1  0.052  0.392  0.104  1.0
  O  O8  1  0.172  0.014  0.344  1.0
  O  O9  1  0.670  0.585  0.340  1.0
  O  O10  1  0.602  0.216  0.205  1.0
  O  O11  1  0.242  0.384  0.484  1.0
  O  O12  1  0.853  0.634  0.707  1.0
  O  O13  1  0.791  0.203  0.583  1.0
  O  O14  1  0.989  0.969  0.979  1.0
  O  O15  1  0.334  0.935  0.667  1.0
[/CIF]
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The compound described by V4CuO11 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and two equivalent O(9) atoms. Cu(1) is bonded to one O(1), one O(11), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing CuO6 octahedra. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), one V(3), and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Cu(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom. is represented by the CIF card [CIF]
data_V4CuO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.603
_cell_length_b   7.379
_cell_length_c   7.800
_cell_angle_alpha   105.234
_cell_angle_beta   103.353
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.270
_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
  V  V0  1  0.089  0.137  0.178  1.0
  V  V1  1  0.532  0.454  0.064  1.0
  V  V2  1  0.751  0.465  0.503  1.0
  V  V3  1  0.302  0.135  0.603  1.0
  Cu  Cu4  1  0.418  0.791  0.836  1.0
  O  O5  1  0.509  0.665  0.017  1.0
  O  O6  1  0.421  0.301  0.841  1.0
  O  O7  1  0.052  0.392  0.104  1.0
  O  O8  1  0.172  0.014  0.344  1.0
  O  O9  1  0.670  0.585  0.340  1.0
  O  O10  1  0.602  0.216  0.205  1.0
  O  O11  1  0.242  0.384  0.484  1.0
  O  O12  1  0.853  0.634  0.707  1.0
  O  O13  1  0.791  0.203  0.583  1.0
  O  O14  1  0.989  0.969  0.979  1.0
  O  O15  1  0.334  0.935  0.667  1.0
[/CIF]
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