The crystal structure described by YNiSO7 crystallizes in the orthorhombic P2_12_12_1 space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. Ni(1) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Ni(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ni(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_YNiSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.230
_cell_length_c   14.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.530
_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  0.724  0.206  0.086  1.0
  Y  Y1  1  0.276  0.706  0.414  1.0
  Y  Y2  1  0.776  0.794  0.586  1.0
  Y  Y3  1  0.224  0.294  0.914  1.0
  Ni  Ni4  1  0.471  0.752  0.999  1.0
  Ni  Ni5  1  0.529  0.252  0.501  1.0
  Ni  Ni6  1  0.029  0.248  0.499  1.0
  Ni  Ni7  1  0.971  0.748  0.001  1.0
  S  S8  1  0.219  0.977  0.183  1.0
  S  S9  1  0.781  0.477  0.317  1.0
  S  S10  1  0.281  0.023  0.683  1.0
  S  S11  1  0.719  0.523  0.817  1.0
  O  O12  1  0.295  0.906  0.276  1.0
  O  O13  1  0.705  0.406  0.224  1.0
  O  O14  1  0.205  0.094  0.776  1.0
  O  O15  1  0.795  0.594  0.724  1.0
  O  O16  1  0.376  0.144  0.148  1.0
  O  O17  1  0.624  0.644  0.352  1.0
  O  O18  1  0.124  0.856  0.648  1.0
  O  O19  1  0.876  0.356  0.852  1.0
  O  O20  1  0.222  0.791  0.114  1.0
  O  O21  1  0.778  0.291  0.386  1.0
  O  O22  1  0.278  0.209  0.614  1.0
  O  O23  1  0.722  0.709  0.886  1.0
  O  O24  1  0.994  0.068  0.189  1.0
  O  O25  1  0.006  0.568  0.311  1.0
  O  O26  1  0.506  0.932  0.689  1.0
  O  O27  1  0.494  0.432  0.811  1.0
  O  O28  1  0.718  0.812  0.070  1.0
  O  O29  1  0.282  0.312  0.430  1.0
  O  O30  1  0.782  0.188  0.570  1.0
  O  O31  1  0.218  0.688  0.930  1.0
  O  O32  1  0.486  0.462  0.016  1.0
  O  O33  1  0.514  0.962  0.484  1.0
  O  O34  1  0.014  0.538  0.516  1.0
  O  O35  1  0.986  0.038  0.984  1.0
  O  O36  1  0.469  0.042  0.975  1.0
  O  O37  1  0.531  0.542  0.525  1.0
  O  O38  1  0.031  0.958  0.475  1.0
  O  O39  1  0.969  0.458  0.025  1.0
[/CIF]
.
The crystal structure described by YNiSO7 crystallizes in the orthorhombic P2_12_12_1 space group. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. Ni(1) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Ni(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Ni(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one S(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_YNiSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.230
_cell_length_c   14.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   533.530
_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  0.724  0.206  0.086  1.0
  Y  Y1  1  0.276  0.706  0.414  1.0
  Y  Y2  1  0.776  0.794  0.586  1.0
  Y  Y3  1  0.224  0.294  0.914  1.0
  Ni  Ni4  1  0.471  0.752  0.999  1.0
  Ni  Ni5  1  0.529  0.252  0.501  1.0
  Ni  Ni6  1  0.029  0.248  0.499  1.0
  Ni  Ni7  1  0.971  0.748  0.001  1.0
  S  S8  1  0.219  0.977  0.183  1.0
  S  S9  1  0.781  0.477  0.317  1.0
  S  S10  1  0.281  0.023  0.683  1.0
  S  S11  1  0.719  0.523  0.817  1.0
  O  O12  1  0.295  0.906  0.276  1.0
  O  O13  1  0.705  0.406  0.224  1.0
  O  O14  1  0.205  0.094  0.776  1.0
  O  O15  1  0.795  0.594  0.724  1.0
  O  O16  1  0.376  0.144  0.148  1.0
  O  O17  1  0.624  0.644  0.352  1.0
  O  O18  1  0.124  0.856  0.648  1.0
  O  O19  1  0.876  0.356  0.852  1.0
  O  O20  1  0.222  0.791  0.114  1.0
  O  O21  1  0.778  0.291  0.386  1.0
  O  O22  1  0.278  0.209  0.614  1.0
  O  O23  1  0.722  0.709  0.886  1.0
  O  O24  1  0.994  0.068  0.189  1.0
  O  O25  1  0.006  0.568  0.311  1.0
  O  O26  1  0.506  0.932  0.689  1.0
  O  O27  1  0.494  0.432  0.811  1.0
  O  O28  1  0.718  0.812  0.070  1.0
  O  O29  1  0.282  0.312  0.430  1.0
  O  O30  1  0.782  0.188  0.570  1.0
  O  O31  1  0.218  0.688  0.930  1.0
  O  O32  1  0.486  0.462  0.016  1.0
  O  O33  1  0.514  0.962  0.484  1.0
  O  O34  1  0.014  0.538  0.516  1.0
  O  O35  1  0.986  0.038  0.984  1.0
  O  O36  1  0.469  0.042  0.975  1.0
  O  O37  1  0.531  0.542  0.525  1.0
  O  O38  1  0.031  0.958  0.475  1.0
  O  O39  1  0.969  0.458  0.025  1.0
[/CIF]
.