The material structure described by NaCoH4SO6F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(3), two equivalent O(1), two equivalent O(4), and one F(1) atom to form distorted NaO5F pentagonal pyramids that share corners with two equivalent Co(1)O4F2 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 64°. Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Na(1)O5F pentagonal pyramids, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with three equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1), one Co(1), one H(1), and one H(2) atom. F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_NaCoH4SO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.794
_cell_length_b   7.397
_cell_length_c   7.279
_cell_angle_alpha   90.000
_cell_angle_beta   111.985
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.265
_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
  Na  Na0  1  0.137  0.750  0.707  1.0
  Na  Na1  1  0.863  0.250  0.293  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.208  0.410  0.134  1.0
  H  H5  1  0.792  0.910  0.866  1.0
  H  H6  1  0.792  0.590  0.866  1.0
  H  H7  1  0.208  0.090  0.134  1.0
  H  H8  1  0.076  0.931  0.203  1.0
  H  H9  1  0.924  0.431  0.797  1.0
  H  H10  1  0.924  0.069  0.797  1.0
  H  H11  1  0.076  0.569  0.203  1.0
  S  S12  1  0.645  0.750  0.191  1.0
  S  S13  1  0.355  0.250  0.809  1.0
  O  O14  1  0.697  0.915  0.321  1.0
  O  O15  1  0.303  0.415  0.679  1.0
  O  O16  1  0.303  0.085  0.679  1.0
  O  O17  1  0.697  0.585  0.321  1.0
  O  O18  1  0.832  0.750  0.091  1.0
  O  O19  1  0.168  0.250  0.909  1.0
  O  O20  1  0.390  0.750  0.045  1.0
  O  O21  1  0.610  0.250  0.955  1.0
  O  O22  1  0.170  0.455  0.247  1.0
  O  O23  1  0.830  0.955  0.753  1.0
  O  O24  1  0.830  0.545  0.753  1.0
  O  O25  1  0.170  0.045  0.247  1.0
  F  F26  1  0.372  0.750  0.528  1.0
  F  F27  1  0.628  0.250  0.472  1.0
[/CIF]
.
The material structure described by NaCoH4SO6F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(3), two equivalent O(1), two equivalent O(4), and one F(1) atom to form distorted NaO5F pentagonal pyramids that share corners with two equivalent Co(1)O4F2 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 64°. Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent Na(1)O5F pentagonal pyramids, corners with two equivalent S(1)O4 tetrahedra, and edges with two equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. S(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with three equivalent Na(1)O5F pentagonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(1), one Co(1), one H(1), and one H(2) atom. F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_NaCoH4SO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.794
_cell_length_b   7.397
_cell_length_c   7.279
_cell_angle_alpha   90.000
_cell_angle_beta   111.985
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.265
_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
  Na  Na0  1  0.137  0.750  0.707  1.0
  Na  Na1  1  0.863  0.250  0.293  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  H  H4  1  0.208  0.410  0.134  1.0
  H  H5  1  0.792  0.910  0.866  1.0
  H  H6  1  0.792  0.590  0.866  1.0
  H  H7  1  0.208  0.090  0.134  1.0
  H  H8  1  0.076  0.931  0.203  1.0
  H  H9  1  0.924  0.431  0.797  1.0
  H  H10  1  0.924  0.069  0.797  1.0
  H  H11  1  0.076  0.569  0.203  1.0
  S  S12  1  0.645  0.750  0.191  1.0
  S  S13  1  0.355  0.250  0.809  1.0
  O  O14  1  0.697  0.915  0.321  1.0
  O  O15  1  0.303  0.415  0.679  1.0
  O  O16  1  0.303  0.085  0.679  1.0
  O  O17  1  0.697  0.585  0.321  1.0
  O  O18  1  0.832  0.750  0.091  1.0
  O  O19  1  0.168  0.250  0.909  1.0
  O  O20  1  0.390  0.750  0.045  1.0
  O  O21  1  0.610  0.250  0.955  1.0
  O  O22  1  0.170  0.455  0.247  1.0
  O  O23  1  0.830  0.955  0.753  1.0
  O  O24  1  0.830  0.545  0.753  1.0
  O  O25  1  0.170  0.045  0.247  1.0
  F  F26  1  0.372  0.750  0.528  1.0
  F  F27  1  0.628  0.250  0.472  1.0
[/CIF]
.