The compound described by YNiH3SO7 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. 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(5) atom. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Y(1), one Ni(1), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Ni(1), and one H(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Ni(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_YNiH3SO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   7.369
_cell_length_c   10.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   532.848
_cell_formula_units_Z   4
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
  Y  Y0  1  0.235  0.250  0.801  1.0
  Y  Y1  1  0.735  0.250  0.699  1.0
  Y  Y2  1  0.765  0.750  0.199  1.0
  Y  Y3  1  0.265  0.750  0.301  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  H  H8  1  0.230  0.250  0.072  1.0
  H  H9  1  0.730  0.250  0.428  1.0
  H  H10  1  0.770  0.750  0.928  1.0
  H  H11  1  0.270  0.750  0.572  1.0
  H  H12  1  0.971  0.952  0.761  1.0
  H  H13  1  0.471  0.548  0.739  1.0
  H  H14  1  0.029  0.452  0.239  1.0
  H  H15  1  0.529  0.048  0.261  1.0
  H  H16  1  0.029  0.048  0.239  1.0
  H  H17  1  0.529  0.452  0.261  1.0
  H  H18  1  0.971  0.548  0.761  1.0
  H  H19  1  0.471  0.952  0.739  1.0
  S  S20  1  0.621  0.250  0.053  1.0
  S  S21  1  0.121  0.250  0.447  1.0
  S  S22  1  0.379  0.750  0.947  1.0
  S  S23  1  0.879  0.750  0.553  1.0
  O  O24  1  0.552  0.250  0.916  1.0
  O  O25  1  0.052  0.250  0.584  1.0
  O  O26  1  0.448  0.750  0.084  1.0
  O  O27  1  0.948  0.750  0.416  1.0
  O  O28  1  0.460  0.250  0.145  1.0
  O  O29  1  0.960  0.250  0.355  1.0
  O  O30  1  0.540  0.750  0.855  1.0
  O  O31  1  0.040  0.750  0.645  1.0
  O  O32  1  0.262  0.916  0.925  1.0
  O  O33  1  0.762  0.584  0.575  1.0
  O  O34  1  0.738  0.416  0.075  1.0
  O  O35  1  0.238  0.084  0.425  1.0
  O  O36  1  0.738  0.084  0.075  1.0
  O  O37  1  0.238  0.416  0.425  1.0
  O  O38  1  0.262  0.584  0.925  1.0
  O  O39  1  0.762  0.916  0.575  1.0
  O  O40  1  0.125  0.250  0.009  1.0
  O  O41  1  0.625  0.250  0.491  1.0
  O  O42  1  0.875  0.750  0.991  1.0
  O  O43  1  0.375  0.750  0.509  1.0
  O  O44  1  0.951  0.066  0.808  1.0
  O  O45  1  0.451  0.434  0.692  1.0
  O  O46  1  0.049  0.566  0.192  1.0
  O  O47  1  0.549  0.934  0.308  1.0
  O  O48  1  0.049  0.934  0.192  1.0
  O  O49  1  0.549  0.566  0.308  1.0
  O  O50  1  0.951  0.434  0.808  1.0
  O  O51  1  0.451  0.066  0.692  1.0
[/CIF]
.
The compound described by YNiH3SO7 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms. Ni(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. 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(5) atom. S(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Y(1), one Ni(1), and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Ni(1), and one H(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Ni(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one S(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_YNiH3SO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   7.369
_cell_length_c   10.371
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   532.848
_cell_formula_units_Z   4
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
  Y  Y0  1  0.235  0.250  0.801  1.0
  Y  Y1  1  0.735  0.250  0.699  1.0
  Y  Y2  1  0.765  0.750  0.199  1.0
  Y  Y3  1  0.265  0.750  0.301  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  H  H8  1  0.230  0.250  0.072  1.0
  H  H9  1  0.730  0.250  0.428  1.0
  H  H10  1  0.770  0.750  0.928  1.0
  H  H11  1  0.270  0.750  0.572  1.0
  H  H12  1  0.971  0.952  0.761  1.0
  H  H13  1  0.471  0.548  0.739  1.0
  H  H14  1  0.029  0.452  0.239  1.0
  H  H15  1  0.529  0.048  0.261  1.0
  H  H16  1  0.029  0.048  0.239  1.0
  H  H17  1  0.529  0.452  0.261  1.0
  H  H18  1  0.971  0.548  0.761  1.0
  H  H19  1  0.471  0.952  0.739  1.0
  S  S20  1  0.621  0.250  0.053  1.0
  S  S21  1  0.121  0.250  0.447  1.0
  S  S22  1  0.379  0.750  0.947  1.0
  S  S23  1  0.879  0.750  0.553  1.0
  O  O24  1  0.552  0.250  0.916  1.0
  O  O25  1  0.052  0.250  0.584  1.0
  O  O26  1  0.448  0.750  0.084  1.0
  O  O27  1  0.948  0.750  0.416  1.0
  O  O28  1  0.460  0.250  0.145  1.0
  O  O29  1  0.960  0.250  0.355  1.0
  O  O30  1  0.540  0.750  0.855  1.0
  O  O31  1  0.040  0.750  0.645  1.0
  O  O32  1  0.262  0.916  0.925  1.0
  O  O33  1  0.762  0.584  0.575  1.0
  O  O34  1  0.738  0.416  0.075  1.0
  O  O35  1  0.238  0.084  0.425  1.0
  O  O36  1  0.738  0.084  0.075  1.0
  O  O37  1  0.238  0.416  0.425  1.0
  O  O38  1  0.262  0.584  0.925  1.0
  O  O39  1  0.762  0.916  0.575  1.0
  O  O40  1  0.125  0.250  0.009  1.0
  O  O41  1  0.625  0.250  0.491  1.0
  O  O42  1  0.875  0.750  0.991  1.0
  O  O43  1  0.375  0.750  0.509  1.0
  O  O44  1  0.951  0.066  0.808  1.0
  O  O45  1  0.451  0.434  0.692  1.0
  O  O46  1  0.049  0.566  0.192  1.0
  O  O47  1  0.549  0.934  0.308  1.0
  O  O48  1  0.049  0.934  0.192  1.0
  O  O49  1  0.549  0.566  0.308  1.0
  O  O50  1  0.951  0.434  0.808  1.0
  O  O51  1  0.451  0.066  0.692  1.0
[/CIF]
.