The material described by Cu2Al6B4O17 crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(5), one O(8), and two equivalent O(10) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one Al(3)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Cu site, Cu(2) is bonded to one O(13), one O(5), one O(7), and two equivalent O(12) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid,  a cornercorner with one Al(4)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Al(3)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded to one O(13), one O(6), one O(7), and two equivalent O(9) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the fourth Al site, Al(4) is bonded to one O(13), one O(6), one O(8), and two equivalent O(11) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(11) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(12) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(10) atoms. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(9) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Al(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Al(2) and one B(4) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(2), and two equivalent Al(1) atoms to form OAl2Cu2 trigonal pyramids that share  a cornercorner with one O(7)Al3Cu trigonal pyramid,  a cornercorner with one O(8)Al3Cu trigonal pyramid, and corners with two equivalent O(6)Al4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Al(3), one Al(4), and two equivalent Al(1) atoms to form OAl4 trigonal pyramids that share  a cornercorner with one O(7)Al3Cu trigonal pyramid,  a cornercorner with one O(8)Al3Cu trigonal pyramid, and corners with two equivalent O(5)Al2Cu2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cu(2), one Al(3), and two equivalent Al(2) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(5)Al2Cu2 trigonal pyramid,  a cornercorner with one O(6)Al4 trigonal pyramid, and corners with two equivalent O(8)Al3Cu trigonal pyramids. In the eighth O site, O(8) is bonded to one Cu(1), one Al(4), and two equivalent Al(2) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(5)Al2Cu2 trigonal pyramid,  a cornercorner with one O(6)Al4 trigonal pyramid, and corners with two equivalent O(7)Al3Cu trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(4), and one B(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cu(2), one Al(2), and one B(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Al(3), and one Al(4) atom. is represented by the CIF file [CIF]
data_Al6Cu2B4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.979
_cell_length_b   7.979
_cell_length_c   10.664
_cell_angle_alpha   49.367
_cell_angle_beta   49.367
_cell_angle_gamma   42.135
_symmetry_Int_Tables_number   1
_cell_volume   326.199
_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  0.993  0.497  0.505  1.0
  Al  Al1  1  0.497  0.993  0.505  1.0
  Al  Al2  1  0.002  0.500  0.997  1.0
  Al  Al3  1  0.500  0.002  0.997  1.0
  Al  Al4  1  0.972  0.972  0.213  1.0
  Al  Al5  1  0.815  0.815  0.159  1.0
  Cu  Cu6  1  0.028  0.028  0.783  1.0
  Cu  Cu7  1  0.188  0.188  0.838  1.0
  B  B8  1  0.241  0.241  0.258  1.0
  B  B9  1  0.763  0.763  0.742  1.0
  B  B10  1  0.502  0.502  0.735  1.0
  B  B11  1  0.496  0.496  0.262  1.0
  O  O12  1  0.242  0.242  0.385  1.0
  O  O13  1  0.761  0.761  0.614  1.0
  O  O14  1  0.373  0.373  0.874  1.0
  O  O15  1  0.625  0.625  0.133  1.0
  O  O16  1  0.213  0.213  0.639  1.0
  O  O17  1  0.786  0.786  0.359  1.0
  O  O18  1  0.141  0.141  0.074  1.0
  O  O19  1  0.849  0.849  0.950  1.0
  O  O20  1  0.219  0.643  0.325  1.0
  O  O21  1  0.367  0.773  0.663  1.0
  O  O22  1  0.032  0.453  0.191  1.0
  O  O23  1  0.561  0.967  0.810  1.0
  O  O24  1  0.773  0.367  0.663  1.0
  O  O25  1  0.643  0.219  0.325  1.0
  O  O26  1  0.967  0.561  0.810  1.0
  O  O27  1  0.453  0.032  0.191  1.0
  O  O28  1  0.979  0.979  0.039  1.0
[/CIF]
.
The material described by Cu2Al6B4O17 crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(13), one O(5), one O(8), and two equivalent O(10) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one Al(3)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Cu site, Cu(2) is bonded to one O(13), one O(5), one O(7), and two equivalent O(12) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid,  a cornercorner with one Al(4)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Cu(1)O5 trigonal bipyramid,  a cornercorner with one Al(3)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded to one O(13), one O(6), one O(7), and two equivalent O(9) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, edges with two equivalent Al(1)O6 octahedra,  an edgeedge with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the fourth Al site, Al(4) is bonded to one O(13), one O(6), one O(8), and two equivalent O(11) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, edges with two equivalent Al(2)O6 octahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Al(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(11) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(12) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(10) atoms. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(9) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Al(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Al(2) and one B(4) atom. In the fifth O site, O(5) is bonded to one Cu(1), one Cu(2), and two equivalent Al(1) atoms to form OAl2Cu2 trigonal pyramids that share  a cornercorner with one O(7)Al3Cu trigonal pyramid,  a cornercorner with one O(8)Al3Cu trigonal pyramid, and corners with two equivalent O(6)Al4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Al(3), one Al(4), and two equivalent Al(1) atoms to form OAl4 trigonal pyramids that share  a cornercorner with one O(7)Al3Cu trigonal pyramid,  a cornercorner with one O(8)Al3Cu trigonal pyramid, and corners with two equivalent O(5)Al2Cu2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cu(2), one Al(3), and two equivalent Al(2) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(5)Al2Cu2 trigonal pyramid,  a cornercorner with one O(6)Al4 trigonal pyramid, and corners with two equivalent O(8)Al3Cu trigonal pyramids. In the eighth O site, O(8) is bonded to one Cu(1), one Al(4), and two equivalent Al(2) atoms to form OAl3Cu trigonal pyramids that share  a cornercorner with one O(5)Al2Cu2 trigonal pyramid,  a cornercorner with one O(6)Al4 trigonal pyramid, and corners with two equivalent O(7)Al3Cu trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(4), and one B(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Cu(2), one Al(2), and one B(2) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(2), one Al(3), and one Al(4) atom. is represented by the CIF file [CIF]
data_Al6Cu2B4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.979
_cell_length_b   7.979
_cell_length_c   10.664
_cell_angle_alpha   49.367
_cell_angle_beta   49.367
_cell_angle_gamma   42.135
_symmetry_Int_Tables_number   1
_cell_volume   326.199
_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  0.993  0.497  0.505  1.0
  Al  Al1  1  0.497  0.993  0.505  1.0
  Al  Al2  1  0.002  0.500  0.997  1.0
  Al  Al3  1  0.500  0.002  0.997  1.0
  Al  Al4  1  0.972  0.972  0.213  1.0
  Al  Al5  1  0.815  0.815  0.159  1.0
  Cu  Cu6  1  0.028  0.028  0.783  1.0
  Cu  Cu7  1  0.188  0.188  0.838  1.0
  B  B8  1  0.241  0.241  0.258  1.0
  B  B9  1  0.763  0.763  0.742  1.0
  B  B10  1  0.502  0.502  0.735  1.0
  B  B11  1  0.496  0.496  0.262  1.0
  O  O12  1  0.242  0.242  0.385  1.0
  O  O13  1  0.761  0.761  0.614  1.0
  O  O14  1  0.373  0.373  0.874  1.0
  O  O15  1  0.625  0.625  0.133  1.0
  O  O16  1  0.213  0.213  0.639  1.0
  O  O17  1  0.786  0.786  0.359  1.0
  O  O18  1  0.141  0.141  0.074  1.0
  O  O19  1  0.849  0.849  0.950  1.0
  O  O20  1  0.219  0.643  0.325  1.0
  O  O21  1  0.367  0.773  0.663  1.0
  O  O22  1  0.032  0.453  0.191  1.0
  O  O23  1  0.561  0.967  0.810  1.0
  O  O24  1  0.773  0.367  0.663  1.0
  O  O25  1  0.643  0.219  0.325  1.0
  O  O26  1  0.967  0.561  0.810  1.0
  O  O27  1  0.453  0.032  0.191  1.0
  O  O28  1  0.979  0.979  0.039  1.0
[/CIF]
.