The structure described by NaZr2CuF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with two equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with two equivalent Na(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid,  an edgeedge with one Na(1)F6 octahedra, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-48°. Cu(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and corners with six equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaZr2CuF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.569
_cell_length_b   5.890
_cell_length_c   7.768
_cell_angle_alpha   110.495
_cell_angle_beta   96.151
_cell_angle_gamma   105.983
_symmetry_Int_Tables_number   1
_cell_volume   223.517
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.484  0.268  0.763  1.0
  Zr  Zr2  1  0.516  0.732  0.237  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.249  0.822  0.114  1.0
  F  F5  1  0.191  0.945  0.718  1.0
  F  F6  1  0.759  0.484  0.659  1.0
  F  F7  1  0.751  0.178  0.886  1.0
  F  F8  1  0.347  0.339  0.024  1.0
  F  F9  1  0.809  0.055  0.282  1.0
  F  F10  1  0.778  0.600  0.350  1.0
  F  F11  1  0.222  0.400  0.650  1.0
  F  F12  1  0.241  0.516  0.341  1.0
  F  F13  1  0.500  0.000  0.500  1.0
  F  F14  1  0.653  0.661  0.976  1.0
[/CIF]
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The structure described by NaZr2CuF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted NaF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with two equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. Zr(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and two equivalent F(4) atoms to form ZrF7 pentagonal bipyramids that share corners with two equivalent Na(1)F6 octahedra, corners with three equivalent Cu(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid,  an edgeedge with one Na(1)F6 octahedra, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 11-48°. Cu(1) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms to form CuF6 octahedra that share corners with two equivalent Na(1)F6 octahedra and corners with six equivalent Zr(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 72°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Na(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one Cu(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Cu(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Cu(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaZr2CuF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.569
_cell_length_b   5.890
_cell_length_c   7.768
_cell_angle_alpha   110.495
_cell_angle_beta   96.151
_cell_angle_gamma   105.983
_symmetry_Int_Tables_number   1
_cell_volume   223.517
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.484  0.268  0.763  1.0
  Zr  Zr2  1  0.516  0.732  0.237  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.249  0.822  0.114  1.0
  F  F5  1  0.191  0.945  0.718  1.0
  F  F6  1  0.759  0.484  0.659  1.0
  F  F7  1  0.751  0.178  0.886  1.0
  F  F8  1  0.347  0.339  0.024  1.0
  F  F9  1  0.809  0.055  0.282  1.0
  F  F10  1  0.778  0.600  0.350  1.0
  F  F11  1  0.222  0.400  0.650  1.0
  F  F12  1  0.241  0.516  0.341  1.0
  F  F13  1  0.500  0.000  0.500  1.0
  F  F14  1  0.653  0.661  0.976  1.0
[/CIF]
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