The compound described by MgCu6OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one F(1), one F(11), one F(2), and one F(9) atom to form distorted MgOF4 trigonal bipyramids that share corners with two equivalent Cu(4)OF5 octahedra and  an edgeedge with one Cu(3)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-58°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(2), one F(3), and one F(9) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(3), one F(8), and two equivalent F(11) atoms. In the third Cu site, Cu(3) is bonded to one O(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF4 trigonal bipyramids that share corners with four equivalent Cu(4)OF5 octahedra,  an edgeedge with one Mg(1)OF4 trigonal bipyramid, and  an edgeedge with one Cu(6)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-61°. 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 Mg(1)OF4 trigonal bipyramids, corners with two equivalent Cu(6)F5 trigonal bipyramids, and corners with four equivalent Cu(3)OF4 trigonal bipyramids. In the fifth Cu site, Cu(5) is bonded in a distorted rectangular see-saw-like geometry to one F(10), one F(6), one F(7), and one F(8) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF5 trigonal bipyramids that share corners with two equivalent Cu(4)OF5 octahedra and  an edgeedge with one Cu(3)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 50-65°. O(1) is bonded in a trigonal planar geometry to one Mg(1), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one Cu(4) 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 distorted trigonal planar 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 in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in an L-shaped geometry to one Mg(1) and one Cu(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_MgCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   4.598
_cell_length_c   9.240
_cell_angle_alpha   88.753
_cell_angle_beta   89.506
_cell_angle_gamma   92.649
_symmetry_Int_Tables_number   1
_cell_volume   231.558
_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  0.371  0.667  0.100  1.0
  Cu  Cu1  1  0.972  0.017  0.019  1.0
  Cu  Cu2  1  0.623  0.339  0.914  1.0
  Cu  Cu3  1  0.345  0.012  0.353  1.0
  Cu  Cu4  1  0.816  0.538  0.342  1.0
  Cu  Cu5  1  0.146  0.504  0.664  1.0
  Cu  Cu6  1  0.656  0.008  0.646  1.0
  O  O7  1  0.578  0.777  0.268  1.0
  F  F8  1  0.310  0.239  0.067  1.0
  F  F9  1  0.097  0.786  0.235  1.0
  F  F10  1  0.802  0.326  0.097  1.0
  F  F11  1  0.096  0.293  0.407  1.0
  F  F12  1  0.597  0.260  0.445  1.0
  F  F13  1  0.367  0.795  0.581  1.0
  F  F14  1  0.876  0.716  0.587  1.0
  F  F15  1  0.429  0.294  0.740  1.0
  F  F16  1  0.153  0.726  0.933  1.0
  F  F17  1  0.915  0.223  0.756  1.0
  F  F18  1  0.641  0.800  0.955  1.0
[/CIF]
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The compound described by MgCu6OF11 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one F(1), one F(11), one F(2), and one F(9) atom to form distorted MgOF4 trigonal bipyramids that share corners with two equivalent Cu(4)OF5 octahedra and  an edgeedge with one Cu(3)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-58°. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one F(1), one F(11), one F(2), one F(3), and one F(9) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(10), one F(3), one F(8), and two equivalent F(11) atoms. In the third Cu site, Cu(3) is bonded to one O(1), one F(2), one F(4), one F(5), and one F(6) atom to form distorted CuOF4 trigonal bipyramids that share corners with four equivalent Cu(4)OF5 octahedra,  an edgeedge with one Mg(1)OF4 trigonal bipyramid, and  an edgeedge with one Cu(6)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-61°. 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 Mg(1)OF4 trigonal bipyramids, corners with two equivalent Cu(6)F5 trigonal bipyramids, and corners with four equivalent Cu(3)OF4 trigonal bipyramids. In the fifth Cu site, Cu(5) is bonded in a distorted rectangular see-saw-like geometry to one F(10), one F(6), one F(7), and one F(8) atom. In the sixth Cu site, Cu(6) is bonded to one F(10), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CuF5 trigonal bipyramids that share corners with two equivalent Cu(4)OF5 octahedra and  an edgeedge with one Cu(3)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 50-65°. O(1) is bonded in a trigonal planar geometry to one Mg(1), one Cu(3), and one Cu(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Cu(1), one Cu(3), and one Cu(4) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one Cu(4) 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 distorted trigonal planar 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 in a distorted trigonal planar geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the ninth F site, F(9) is bonded in an L-shaped geometry to one Mg(1) and one Cu(1) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one Cu(6) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_MgCu6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   4.598
_cell_length_c   9.240
_cell_angle_alpha   88.753
_cell_angle_beta   89.506
_cell_angle_gamma   92.649
_symmetry_Int_Tables_number   1
_cell_volume   231.558
_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  0.371  0.667  0.100  1.0
  Cu  Cu1  1  0.972  0.017  0.019  1.0
  Cu  Cu2  1  0.623  0.339  0.914  1.0
  Cu  Cu3  1  0.345  0.012  0.353  1.0
  Cu  Cu4  1  0.816  0.538  0.342  1.0
  Cu  Cu5  1  0.146  0.504  0.664  1.0
  Cu  Cu6  1  0.656  0.008  0.646  1.0
  O  O7  1  0.578  0.777  0.268  1.0
  F  F8  1  0.310  0.239  0.067  1.0
  F  F9  1  0.097  0.786  0.235  1.0
  F  F10  1  0.802  0.326  0.097  1.0
  F  F11  1  0.096  0.293  0.407  1.0
  F  F12  1  0.597  0.260  0.445  1.0
  F  F13  1  0.367  0.795  0.581  1.0
  F  F14  1  0.876  0.716  0.587  1.0
  F  F15  1  0.429  0.294  0.740  1.0
  F  F16  1  0.153  0.726  0.933  1.0
  F  F17  1  0.915  0.223  0.756  1.0
  F  F18  1  0.641  0.800  0.955  1.0
[/CIF]
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