The structure described by La6Cu6O17 crystallizes in the trigonal P312 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a body-centered cubic geometry to one O(2), one O(3), three equivalent O(1), and three equivalent O(5) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(1), and three equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one La(3), and one Cu(1) atom to form OLa3Cu tetrahedra that share corners with seven equivalent O(1)La3Cu tetrahedra,  a cornercorner with one O(2)La2Cu3 trigonal bipyramid, corners with three equivalent O(5)La3Cu trigonal pyramids,  an edgeedge with one O(3)La2Cu3 trigonal bipyramid, and edges with three equivalent O(5)La3Cu trigonal pyramids. In the second O site, O(2) is bonded to two equivalent La(2) and three equivalent Cu(2) atoms to form OLa2Cu3 trigonal bipyramids that share corners with six equivalent O(1)La3Cu tetrahedra, corners with two equivalent O(3)La2Cu3 trigonal bipyramids, and edges with six equivalent O(5)La3Cu trigonal pyramids. In the third O site, O(3) is bonded to two equivalent La(2) and three equivalent Cu(1) atoms to form distorted OLa2Cu3 trigonal bipyramids that share corners with two equivalent O(2)La2Cu3 trigonal bipyramids, corners with six equivalent O(5)La3Cu trigonal pyramids, and edges with six equivalent O(1)La3Cu tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent La(1) and three equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Cu(2) atom to form distorted OLa3Cu trigonal pyramids that share corners with three equivalent O(1)La3Cu tetrahedra,  a cornercorner with one O(3)La2Cu3 trigonal bipyramid, corners with seven equivalent O(5)La3Cu trigonal pyramids, edges with three equivalent O(1)La3Cu tetrahedra, and  an edgeedge with one O(2)La2Cu3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent La(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6Cu6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.758
_cell_length_b   6.758
_cell_length_c   10.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.129
_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
  La  La0  1  0.000  0.000  0.231  1.0
  La  La1  1  0.667  0.333  0.754  1.0
  La  La2  1  0.667  0.333  0.246  1.0
  La  La3  1  0.000  0.000  0.769  1.0
  La  La4  1  0.333  0.667  0.710  1.0
  La  La5  1  0.333  0.667  0.290  1.0
  Cu  Cu6  1  0.835  0.165  0.500  1.0
  Cu  Cu7  1  0.835  0.669  0.500  1.0
  Cu  Cu8  1  0.008  0.504  0.000  1.0
  Cu  Cu9  1  0.331  0.165  0.500  1.0
  Cu  Cu10  1  0.496  0.992  0.000  1.0
  Cu  Cu11  1  0.496  0.504  0.000  1.0
  O  O12  1  0.701  0.030  0.656  1.0
  O  O13  1  0.970  0.299  0.344  1.0
  O  O14  1  0.701  0.671  0.344  1.0
  O  O15  1  0.667  0.333  0.000  1.0
  O  O16  1  0.667  0.333  0.500  1.0
  O  O17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.970  0.671  0.656  1.0
  O  O19  1  0.329  0.299  0.656  1.0
  O  O20  1  0.009  0.665  0.147  1.0
  O  O21  1  0.329  0.030  0.344  1.0
  O  O22  1  0.009  0.345  0.853  1.0
  O  O23  1  0.335  0.991  0.853  1.0
  O  O24  1  0.333  0.667  0.500  1.0
  O  O25  1  0.333  0.667  0.000  1.0
  O  O26  1  0.655  0.991  0.147  1.0
  O  O27  1  0.335  0.345  0.147  1.0
  O  O28  1  0.655  0.665  0.853  1.0
[/CIF]
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The structure described by La6Cu6O17 crystallizes in the trigonal P312 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a body-centered cubic geometry to one O(2), one O(3), three equivalent O(1), and three equivalent O(5) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(1), and three equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(7), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one La(3), and one Cu(1) atom to form OLa3Cu tetrahedra that share corners with seven equivalent O(1)La3Cu tetrahedra,  a cornercorner with one O(2)La2Cu3 trigonal bipyramid, corners with three equivalent O(5)La3Cu trigonal pyramids,  an edgeedge with one O(3)La2Cu3 trigonal bipyramid, and edges with three equivalent O(5)La3Cu trigonal pyramids. In the second O site, O(2) is bonded to two equivalent La(2) and three equivalent Cu(2) atoms to form OLa2Cu3 trigonal bipyramids that share corners with six equivalent O(1)La3Cu tetrahedra, corners with two equivalent O(3)La2Cu3 trigonal bipyramids, and edges with six equivalent O(5)La3Cu trigonal pyramids. In the third O site, O(3) is bonded to two equivalent La(2) and three equivalent Cu(1) atoms to form distorted OLa2Cu3 trigonal bipyramids that share corners with two equivalent O(2)La2Cu3 trigonal bipyramids, corners with six equivalent O(5)La3Cu trigonal pyramids, and edges with six equivalent O(1)La3Cu tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent La(1) and three equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Cu(2) atom to form distorted OLa3Cu trigonal pyramids that share corners with three equivalent O(1)La3Cu tetrahedra,  a cornercorner with one O(3)La2Cu3 trigonal bipyramid, corners with seven equivalent O(5)La3Cu trigonal pyramids, edges with three equivalent O(1)La3Cu tetrahedra, and  an edgeedge with one O(2)La2Cu3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent La(3) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La6Cu6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.758
_cell_length_b   6.758
_cell_length_c   10.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.129
_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
  La  La0  1  0.000  0.000  0.231  1.0
  La  La1  1  0.667  0.333  0.754  1.0
  La  La2  1  0.667  0.333  0.246  1.0
  La  La3  1  0.000  0.000  0.769  1.0
  La  La4  1  0.333  0.667  0.710  1.0
  La  La5  1  0.333  0.667  0.290  1.0
  Cu  Cu6  1  0.835  0.165  0.500  1.0
  Cu  Cu7  1  0.835  0.669  0.500  1.0
  Cu  Cu8  1  0.008  0.504  0.000  1.0
  Cu  Cu9  1  0.331  0.165  0.500  1.0
  Cu  Cu10  1  0.496  0.992  0.000  1.0
  Cu  Cu11  1  0.496  0.504  0.000  1.0
  O  O12  1  0.701  0.030  0.656  1.0
  O  O13  1  0.970  0.299  0.344  1.0
  O  O14  1  0.701  0.671  0.344  1.0
  O  O15  1  0.667  0.333  0.000  1.0
  O  O16  1  0.667  0.333  0.500  1.0
  O  O17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.970  0.671  0.656  1.0
  O  O19  1  0.329  0.299  0.656  1.0
  O  O20  1  0.009  0.665  0.147  1.0
  O  O21  1  0.329  0.030  0.344  1.0
  O  O22  1  0.009  0.345  0.853  1.0
  O  O23  1  0.335  0.991  0.853  1.0
  O  O24  1  0.333  0.667  0.500  1.0
  O  O25  1  0.333  0.667  0.000  1.0
  O  O26  1  0.655  0.991  0.147  1.0
  O  O27  1  0.335  0.345  0.147  1.0
  O  O28  1  0.655  0.665  0.853  1.0
[/CIF]
.