The material described by Hf2Ag3F14 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded to one F(3), one F(5), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form HfF7 pentagonal bipyramids that share corners with three equivalent Ag(1)F6 octahedra and  a cornercorner with one Hf(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 to two equivalent F(6) and four equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Hf(1)F7 pentagonal bipyramids. In the second Ag site, Ag(2) is bonded in a distorted square co-planar geometry to one F(4), one F(5), and four equivalent F(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Ag(2) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Ag(2) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Hf(1) and one Ag(2) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Hf(1) and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Ag3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.736
_cell_length_c   9.047
_cell_angle_alpha   88.664
_cell_angle_beta   88.664
_cell_angle_gamma   71.594
_symmetry_Int_Tables_number   1
_cell_volume   282.369
_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
  Hf  Hf0  1  0.409  0.409  0.217  1.0
  Hf  Hf1  1  0.591  0.591  0.783  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.187  0.187  0.603  1.0
  Ag  Ag4  1  0.813  0.813  0.397  1.0
  F  F5  1  0.856  0.266  0.836  1.0
  F  F6  1  0.734  0.144  0.164  1.0
  F  F7  1  0.144  0.734  0.164  1.0
  F  F8  1  0.266  0.856  0.836  1.0
  F  F9  1  0.847  0.494  0.611  1.0
  F  F10  1  0.500  0.500  0.000  1.0
  F  F11  1  0.000  0.000  0.500  1.0
  F  F12  1  0.389  0.389  0.707  1.0
  F  F13  1  0.611  0.611  0.293  1.0
  F  F14  1  0.774  0.774  0.878  1.0
  F  F15  1  0.226  0.226  0.122  1.0
  F  F16  1  0.494  0.847  0.611  1.0
  F  F17  1  0.153  0.506  0.389  1.0
  F  F18  1  0.506  0.153  0.389  1.0
[/CIF]
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The material described by Hf2Ag3F14 crystallizes in the monoclinic C2/m space group. Hf(1) is bonded to one F(3), one F(5), one F(6), two equivalent F(1), and two equivalent F(2) atoms to form HfF7 pentagonal bipyramids that share corners with three equivalent Ag(1)F6 octahedra and  a cornercorner with one Hf(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 to two equivalent F(6) and four equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Hf(1)F7 pentagonal bipyramids. In the second Ag site, Ag(2) is bonded in a distorted square co-planar geometry to one F(4), one F(5), and four equivalent F(2) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one Ag(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Ag(2) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Ag(2) atoms. In the fifth F site, F(5) is bonded in a linear geometry to one Hf(1) and one Ag(2) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Hf(1) and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Ag3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.736
_cell_length_b   5.736
_cell_length_c   9.047
_cell_angle_alpha   88.664
_cell_angle_beta   88.664
_cell_angle_gamma   71.594
_symmetry_Int_Tables_number   1
_cell_volume   282.369
_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
  Hf  Hf0  1  0.409  0.409  0.217  1.0
  Hf  Hf1  1  0.591  0.591  0.783  1.0
  Ag  Ag2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.187  0.187  0.603  1.0
  Ag  Ag4  1  0.813  0.813  0.397  1.0
  F  F5  1  0.856  0.266  0.836  1.0
  F  F6  1  0.734  0.144  0.164  1.0
  F  F7  1  0.144  0.734  0.164  1.0
  F  F8  1  0.266  0.856  0.836  1.0
  F  F9  1  0.847  0.494  0.611  1.0
  F  F10  1  0.500  0.500  0.000  1.0
  F  F11  1  0.000  0.000  0.500  1.0
  F  F12  1  0.389  0.389  0.707  1.0
  F  F13  1  0.611  0.611  0.293  1.0
  F  F14  1  0.774  0.774  0.878  1.0
  F  F15  1  0.226  0.226  0.122  1.0
  F  F16  1  0.494  0.847  0.611  1.0
  F  F17  1  0.153  0.506  0.389  1.0
  F  F18  1  0.506  0.153  0.389  1.0
[/CIF]
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