The crystal structure described by MgCu6OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(10), one F(3), one F(8), and one F(9) atom to form MgF5 square pyramids that share  a cornercorner with one Cu(3)OF5 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-68°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(11), one F(2), one F(3), and one F(9) atom to form distorted CuOF4 trigonal bipyramids that share  a cornercorner with one Cu(6)F6 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(2)OF5 octahedra, corners with two equivalent Cu(3)OF5 octahedra,  an edgeedge with one Cu(2)OF5 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and  an edgeedge with one Mg(1)F5 square pyramid. The corner-sharing octahedral tilt angles range from 46-77°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, corners with two equivalent Mg(1)F5 square pyramids, corners with two equivalent Cu(1)OF4 trigonal bipyramids,  an edgeedge with one Cu(4)OF5 octahedra,  an edgeedge with one Mg(1)F5 square pyramid, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-67°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form CuOF5 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(4)OF5 octahedra,  a cornercorner with one Mg(1)F5 square pyramid, corners with two equivalent Cu(1)OF4 trigonal bipyramids, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with four equivalent Cu(3)OF5 octahedra,  a cornercorner with one Mg(1)F5 square pyramid,  a cornercorner with one Cu(1)OF4 trigonal bipyramid,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-56°. In the fifth Cu site, Cu(5) is bonded in a 5-coordinate geometry to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with two equivalent Mg(1)F5 square pyramids,  a cornercorner with one Cu(1)OF4 trigonal bipyramid, and  an edgeedge with one Cu(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OCu4 trigonal pyramids that share  a cornercorner with one F(8)MgCu3 trigonal pyramid. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded to one Mg(1), one Cu(2), one Cu(5), and one Cu(6) atom to form distorted FMgCu3 trigonal pyramids that share  a cornercorner with one O(1)Cu4 trigonal pyramid. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF card [CIF]
data_MgCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   4.872
_cell_length_c   8.339
_cell_angle_alpha   94.223
_cell_angle_beta   89.616
_cell_angle_gamma   83.766
_symmetry_Int_Tables_number   1
_cell_volume   225.860
_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
  Mg  Mg0  1  0.150  0.170  0.908  1.0
  Cu  Cu1  1  0.866  0.834  0.091  1.0
  Cu  Cu2  1  0.507  0.547  0.017  1.0
  Cu  Cu3  1  0.376  0.991  0.324  1.0
  Cu  Cu4  1  0.835  0.479  0.331  1.0
  Cu  Cu5  1  0.169  0.537  0.636  1.0
  Cu  Cu6  1  0.662  0.027  0.662  1.0
  O  O7  1  0.616  0.723  0.220  1.0
  F  F8  1  0.358  0.244  0.089  1.0
  F  F9  1  0.118  0.781  0.250  1.0
  F  F10  1  0.883  0.272  0.061  1.0
  F  F11  1  0.126  0.277  0.410  1.0
  F  F12  1  0.616  0.212  0.420  1.0
  F  F13  1  0.384  0.815  0.593  1.0
  F  F14  1  0.882  0.736  0.552  1.0
  F  F15  1  0.411  0.321  0.779  1.0
  F  F16  1  0.135  0.775  0.921  1.0
  F  F17  1  0.946  0.254  0.727  1.0
  F  F18  1  0.646  0.825  0.898  1.0
[/CIF]
.
The crystal structure described by MgCu6OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one F(1), one F(10), one F(3), one F(8), and one F(9) atom to form MgF5 square pyramids that share  a cornercorner with one Cu(3)OF5 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(2)OF5 octahedra,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-68°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one F(11), one F(2), one F(3), and one F(9) atom to form distorted CuOF4 trigonal bipyramids that share  a cornercorner with one Cu(6)F6 octahedra,  a cornercorner with one Cu(4)OF5 octahedra, corners with two equivalent Cu(2)OF5 octahedra, corners with two equivalent Cu(3)OF5 octahedra,  an edgeedge with one Cu(2)OF5 octahedra,  an edgeedge with one Cu(4)OF5 octahedra, and  an edgeedge with one Mg(1)F5 square pyramid. The corner-sharing octahedral tilt angles range from 46-77°. In the second Cu site, Cu(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(8), and one F(9) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with two equivalent Cu(3)OF5 octahedra, corners with two equivalent Mg(1)F5 square pyramids, corners with two equivalent Cu(1)OF4 trigonal bipyramids,  an edgeedge with one Cu(4)OF5 octahedra,  an edgeedge with one Mg(1)F5 square pyramid, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-67°. In the third Cu site, Cu(3) is bonded to one O(1), one F(1), one F(2), one F(4), one F(5), and one F(6) atom to form CuOF5 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with four equivalent Cu(4)OF5 octahedra,  a cornercorner with one Mg(1)F5 square pyramid, corners with two equivalent Cu(1)OF4 trigonal bipyramids, and  an edgeedge with one Cu(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 36-67°. In the fourth Cu site, Cu(4) is bonded to one O(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form distorted CuOF5 octahedra that share corners with two equivalent Cu(6)F6 octahedra, corners with four equivalent Cu(3)OF5 octahedra,  a cornercorner with one Mg(1)F5 square pyramid,  a cornercorner with one Cu(1)OF4 trigonal bipyramid,  an edgeedge with one Cu(2)OF5 octahedra, and  an edgeedge with one Cu(1)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-56°. In the fifth Cu site, Cu(5) is bonded in a 5-coordinate geometry to one F(10), one F(4), one F(6), one F(7), one F(8), and one F(9) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(11), one F(5), one F(6), one F(7), and one F(8) atom to form CuF6 octahedra that share corners with two equivalent Cu(2)OF5 octahedra, corners with two equivalent Cu(4)OF5 octahedra, corners with two equivalent Mg(1)F5 square pyramids,  a cornercorner with one Cu(1)OF4 trigonal bipyramid, and  an edgeedge with one Cu(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form OCu4 trigonal pyramids that share  a cornercorner with one F(8)MgCu3 trigonal pyramid. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(2), and one Cu(3) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(5), and one Cu(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(5), and one Cu(6) atom. In the eighth F site, F(8) is bonded to one Mg(1), one Cu(2), one Cu(5), and one Cu(6) atom to form distorted FMgCu3 trigonal pyramids that share  a cornercorner with one O(1)Cu4 trigonal pyramid. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(5) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(6) atom. is represented by the CIF card [CIF]
data_MgCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   4.872
_cell_length_c   8.339
_cell_angle_alpha   94.223
_cell_angle_beta   89.616
_cell_angle_gamma   83.766
_symmetry_Int_Tables_number   1
_cell_volume   225.860
_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
  Mg  Mg0  1  0.150  0.170  0.908  1.0
  Cu  Cu1  1  0.866  0.834  0.091  1.0
  Cu  Cu2  1  0.507  0.547  0.017  1.0
  Cu  Cu3  1  0.376  0.991  0.324  1.0
  Cu  Cu4  1  0.835  0.479  0.331  1.0
  Cu  Cu5  1  0.169  0.537  0.636  1.0
  Cu  Cu6  1  0.662  0.027  0.662  1.0
  O  O7  1  0.616  0.723  0.220  1.0
  F  F8  1  0.358  0.244  0.089  1.0
  F  F9  1  0.118  0.781  0.250  1.0
  F  F10  1  0.883  0.272  0.061  1.0
  F  F11  1  0.126  0.277  0.410  1.0
  F  F12  1  0.616  0.212  0.420  1.0
  F  F13  1  0.384  0.815  0.593  1.0
  F  F14  1  0.882  0.736  0.552  1.0
  F  F15  1  0.411  0.321  0.779  1.0
  F  F16  1  0.135  0.775  0.921  1.0
  F  F17  1  0.946  0.254  0.727  1.0
  F  F18  1  0.646  0.825  0.898  1.0
[/CIF]
.