The material described by Zr2Ag3F14 crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to one F(2), one F(3), one F(6), two equivalent F(1), and two equivalent F(5) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ag(2)F6 octahedra and  a cornercorner with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 1-34°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted square co-planar geometry to one F(3), one F(4), and four equivalent F(5) atoms. In the second Ag site, Ag(2) is bonded to two equivalent F(2) and four equivalent F(1) 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 bent 150 degrees geometry to one Zr(1) and one Ag(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Ag(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Zr(1) and one Ag(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Ag(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Ag(1) atoms. 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_Zr2Ag3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   9.105
_cell_angle_alpha   88.842
_cell_angle_beta   88.842
_cell_angle_gamma   71.436
_symmetry_Int_Tables_number   1
_cell_volume   287.092
_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
  Zr  Zr0  1  0.909  0.909  0.218  1.0
  Zr  Zr1  1  0.091  0.091  0.782  1.0
  Ag  Ag2  1  0.687  0.687  0.602  1.0
  Ag  Ag3  1  0.313  0.313  0.398  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  F  F5  1  0.641  0.236  0.164  1.0
  F  F6  1  0.359  0.764  0.836  1.0
  F  F7  1  0.764  0.359  0.836  1.0
  F  F8  1  0.236  0.641  0.164  1.0
  F  F9  1  0.725  0.725  0.122  1.0
  F  F10  1  0.275  0.275  0.878  1.0
  F  F11  1  0.887  0.887  0.705  1.0
  F  F12  1  0.113  0.113  0.295  1.0
  F  F13  1  0.500  0.500  0.500  1.0
  F  F14  1  0.650  0.007  0.390  1.0
  F  F15  1  0.350  0.993  0.610  1.0
  F  F16  1  0.993  0.350  0.610  1.0
  F  F17  1  0.007  0.650  0.390  1.0
  F  F18  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Zr2Ag3F14 crystallizes in the monoclinic C2/m space group. Zr(1) is bonded to one F(2), one F(3), one F(6), two equivalent F(1), and two equivalent F(5) atoms to form ZrF7 pentagonal bipyramids that share corners with three equivalent Ag(2)F6 octahedra and  a cornercorner with one Zr(1)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 1-34°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted square co-planar geometry to one F(3), one F(4), and four equivalent F(5) atoms. In the second Ag site, Ag(2) is bonded to two equivalent F(2) and four equivalent F(1) 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 bent 150 degrees geometry to one Zr(1) and one Ag(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Ag(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Zr(1) and one Ag(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Ag(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Zr(1) and two equivalent Ag(1) atoms. 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_Zr2Ag3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   5.768
_cell_length_c   9.105
_cell_angle_alpha   88.842
_cell_angle_beta   88.842
_cell_angle_gamma   71.436
_symmetry_Int_Tables_number   1
_cell_volume   287.092
_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
  Zr  Zr0  1  0.909  0.909  0.218  1.0
  Zr  Zr1  1  0.091  0.091  0.782  1.0
  Ag  Ag2  1  0.687  0.687  0.602  1.0
  Ag  Ag3  1  0.313  0.313  0.398  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  F  F5  1  0.641  0.236  0.164  1.0
  F  F6  1  0.359  0.764  0.836  1.0
  F  F7  1  0.764  0.359  0.836  1.0
  F  F8  1  0.236  0.641  0.164  1.0
  F  F9  1  0.725  0.725  0.122  1.0
  F  F10  1  0.275  0.275  0.878  1.0
  F  F11  1  0.887  0.887  0.705  1.0
  F  F12  1  0.113  0.113  0.295  1.0
  F  F13  1  0.500  0.500  0.500  1.0
  F  F14  1  0.650  0.007  0.390  1.0
  F  F15  1  0.350  0.993  0.610  1.0
  F  F16  1  0.993  0.350  0.610  1.0
  F  F17  1  0.007  0.650  0.390  1.0
  F  F18  1  0.000  0.000  0.000  1.0
[/CIF]
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