The compound described by ZrH6O3F4 crystallizes in the triclinic P-1 space group. Zr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one F(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one F(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one F(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) and one F(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zr(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zr(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Zr(1), one H(5), and one H(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one H(5) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to 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 H(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Zr(1), one H(2), and one H(4) atom. is represented by the CIF file [CIF]
data_ZrH6O3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   6.697
_cell_length_c   7.620
_cell_angle_alpha   76.949
_cell_angle_beta   75.059
_cell_angle_gamma   66.850
_symmetry_Int_Tables_number   1
_cell_volume   269.137
_cell_formula_units_Z   2
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  0.120  0.147  0.782  1.0
  Zr  Zr1  1  0.880  0.853  0.218  1.0
  H  H2  1  0.804  0.215  0.523  1.0
  H  H3  1  0.196  0.785  0.477  1.0
  H  H4  1  0.770  0.449  0.566  1.0
  H  H5  1  0.230  0.551  0.434  1.0
  H  H6  1  0.642  0.940  0.822  1.0
  H  H7  1  0.358  0.060  0.178  1.0
  H  H8  1  0.613  0.835  0.661  1.0
  H  H9  1  0.387  0.165  0.339  1.0
  H  H10  1  0.243  0.444  0.935  1.0
  H  H11  1  0.757  0.556  0.065  1.0
  H  H12  1  0.491  0.328  0.787  1.0
  H  H13  1  0.509  0.672  0.213  1.0
  O  O14  1  0.784  0.297  0.625  1.0
  O  O15  1  0.216  0.703  0.375  1.0
  O  O16  1  0.525  0.931  0.757  1.0
  O  O17  1  0.475  0.069  0.243  1.0
  O  O18  1  0.323  0.331  0.849  1.0
  O  O19  1  0.677  0.669  0.151  1.0
  F  F20  1  0.861  0.409  0.898  1.0
  F  F21  1  0.139  0.591  0.102  1.0
  F  F22  1  0.831  0.003  0.940  1.0
  F  F23  1  0.169  0.997  0.060  1.0
  F  F24  1  0.165  0.898  0.648  1.0
  F  F25  1  0.835  0.102  0.352  1.0
  F  F26  1  0.246  0.299  0.525  1.0
  F  F27  1  0.754  0.701  0.475  1.0
[/CIF]
.
The compound described by ZrH6O3F4 crystallizes in the triclinic P-1 space group. Zr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one F(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one F(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one F(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) and one F(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zr(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zr(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Zr(1), one H(5), and one H(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one H(5) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to 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 H(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Zr(1), one H(2), and one H(4) atom. is represented by the CIF file [CIF]
data_ZrH6O3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   6.697
_cell_length_c   7.620
_cell_angle_alpha   76.949
_cell_angle_beta   75.059
_cell_angle_gamma   66.850
_symmetry_Int_Tables_number   1
_cell_volume   269.137
_cell_formula_units_Z   2
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  0.120  0.147  0.782  1.0
  Zr  Zr1  1  0.880  0.853  0.218  1.0
  H  H2  1  0.804  0.215  0.523  1.0
  H  H3  1  0.196  0.785  0.477  1.0
  H  H4  1  0.770  0.449  0.566  1.0
  H  H5  1  0.230  0.551  0.434  1.0
  H  H6  1  0.642  0.940  0.822  1.0
  H  H7  1  0.358  0.060  0.178  1.0
  H  H8  1  0.613  0.835  0.661  1.0
  H  H9  1  0.387  0.165  0.339  1.0
  H  H10  1  0.243  0.444  0.935  1.0
  H  H11  1  0.757  0.556  0.065  1.0
  H  H12  1  0.491  0.328  0.787  1.0
  H  H13  1  0.509  0.672  0.213  1.0
  O  O14  1  0.784  0.297  0.625  1.0
  O  O15  1  0.216  0.703  0.375  1.0
  O  O16  1  0.525  0.931  0.757  1.0
  O  O17  1  0.475  0.069  0.243  1.0
  O  O18  1  0.323  0.331  0.849  1.0
  O  O19  1  0.677  0.669  0.151  1.0
  F  F20  1  0.861  0.409  0.898  1.0
  F  F21  1  0.139  0.591  0.102  1.0
  F  F22  1  0.831  0.003  0.940  1.0
  F  F23  1  0.169  0.997  0.060  1.0
  F  F24  1  0.165  0.898  0.648  1.0
  F  F25  1  0.835  0.102  0.352  1.0
  F  F26  1  0.246  0.299  0.525  1.0
  F  F27  1  0.754  0.701  0.475  1.0
[/CIF]
.