The material described by Ca(HF2)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. H(1) is bonded in a linear geometry to two equivalent F(1) atoms. F(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one H(1) atom. is represented by the CIF file [CIF]
data_CaH2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.753
_cell_length_c   5.954
_cell_angle_alpha   76.981
_cell_angle_beta   62.188
_cell_angle_gamma   61.131
_symmetry_Int_Tables_number   1
_cell_volume   147.390
_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
  Ca  Ca0  1  0.125  0.250  0.750  1.0
  Ca  Ca1  1  0.875  0.750  0.250  1.0
  H  H2  1  0.256  0.750  0.489  1.0
  H  H3  1  0.494  0.750  0.011  1.0
  H  H4  1  0.744  0.250  0.511  1.0
  H  H5  1  0.506  0.250  0.989  1.0
  F  F6  1  0.165  0.611  0.486  1.0
  F  F7  1  0.262  0.889  0.014  1.0
  F  F8  1  0.724  0.611  0.014  1.0
  F  F9  1  0.349  0.889  0.486  1.0
  F  F10  1  0.835  0.389  0.514  1.0
  F  F11  1  0.738  0.111  0.986  1.0
  F  F12  1  0.276  0.389  0.986  1.0
  F  F13  1  0.651  0.111  0.514  1.0
[/CIF]
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The material described by Ca(HF2)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. H(1) is bonded in a linear geometry to two equivalent F(1) atoms. F(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one H(1) atom. is represented by the CIF file [CIF]
data_CaH2F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.753
_cell_length_c   5.954
_cell_angle_alpha   76.981
_cell_angle_beta   62.188
_cell_angle_gamma   61.131
_symmetry_Int_Tables_number   1
_cell_volume   147.390
_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
  Ca  Ca0  1  0.125  0.250  0.750  1.0
  Ca  Ca1  1  0.875  0.750  0.250  1.0
  H  H2  1  0.256  0.750  0.489  1.0
  H  H3  1  0.494  0.750  0.011  1.0
  H  H4  1  0.744  0.250  0.511  1.0
  H  H5  1  0.506  0.250  0.989  1.0
  F  F6  1  0.165  0.611  0.486  1.0
  F  F7  1  0.262  0.889  0.014  1.0
  F  F8  1  0.724  0.611  0.014  1.0
  F  F9  1  0.349  0.889  0.486  1.0
  F  F10  1  0.835  0.389  0.514  1.0
  F  F11  1  0.738  0.111  0.986  1.0
  F  F12  1  0.276  0.389  0.986  1.0
  F  F13  1  0.651  0.111  0.514  1.0
[/CIF]
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