The material described by NaZr2AgF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. Zr(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ag(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 6-38°. Ag(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form AgF6 octahedra that share corners with six equivalent Zr(1)F7 pentagonal bipyramids. 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 trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Ag(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ag(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Ag(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 CIF card [CIF]
data_NaZr2AgF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.811
_cell_length_b   5.973
_cell_length_c   7.982
_cell_angle_alpha   111.715
_cell_angle_beta   95.916
_cell_angle_gamma   105.883
_symmetry_Int_Tables_number   1
_cell_volume   241.015
_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  0.506  0.737  0.230  1.0
  Zr  Zr2  1  0.494  0.263  0.770  1.0
  Ag  Ag3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.259  0.841  0.114  1.0
  F  F5  1  0.340  0.345  0.015  1.0
  F  F6  1  0.660  0.655  0.985  1.0
  F  F7  1  0.773  0.484  0.685  1.0
  F  F8  1  0.793  0.054  0.276  1.0
  F  F9  1  0.207  0.946  0.724  1.0
  F  F10  1  0.741  0.159  0.886  1.0
  F  F11  1  0.227  0.516  0.315  1.0
  F  F12  1  0.741  0.606  0.347  1.0
  F  F13  1  0.259  0.394  0.653  1.0
  F  F14  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by NaZr2AgF11 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. Zr(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and two equivalent F(2) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ag(1)F6 octahedra,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, and  an edgeedge with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 6-38°. Ag(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form AgF6 octahedra that share corners with six equivalent Zr(1)F7 pentagonal bipyramids. 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 trigonal planar geometry to one Na(1) and two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Ag(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ag(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Zr(1) and one Ag(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 CIF card [CIF]
data_NaZr2AgF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.811
_cell_length_b   5.973
_cell_length_c   7.982
_cell_angle_alpha   111.715
_cell_angle_beta   95.916
_cell_angle_gamma   105.883
_symmetry_Int_Tables_number   1
_cell_volume   241.015
_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  0.506  0.737  0.230  1.0
  Zr  Zr2  1  0.494  0.263  0.770  1.0
  Ag  Ag3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.259  0.841  0.114  1.0
  F  F5  1  0.340  0.345  0.015  1.0
  F  F6  1  0.660  0.655  0.985  1.0
  F  F7  1  0.773  0.484  0.685  1.0
  F  F8  1  0.793  0.054  0.276  1.0
  F  F9  1  0.207  0.946  0.724  1.0
  F  F10  1  0.741  0.159  0.886  1.0
  F  F11  1  0.227  0.516  0.315  1.0
  F  F12  1  0.741  0.606  0.347  1.0
  F  F13  1  0.259  0.394  0.653  1.0
  F  F14  1  0.500  0.000  0.500  1.0
[/CIF]
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