The material structure described by (YNi3(SeO4)2)2Cl2 crystallizes in the orthorhombic Pmmn space group. The structure consists of two hydrochloric acid atoms inside a YNi3(SeO4)2 framework. In the YNi3(SeO4)2 framework, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one Ni(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one Ni(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_YNi3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   7.157
_cell_length_c   9.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.493
_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
  Y  Y0  1  0.000  0.741  0.000  1.0
  Y  Y1  1  0.500  0.259  0.500  1.0
  Ni  Ni2  1  0.250  0.000  0.750  1.0
  Ni  Ni3  1  0.250  0.000  0.250  1.0
  Ni  Ni4  1  0.750  0.000  0.750  1.0
  Ni  Ni5  1  0.500  0.796  0.500  1.0
  Ni  Ni6  1  0.000  0.204  0.000  1.0
  Ni  Ni7  1  0.750  0.000  0.250  1.0
  Se  Se8  1  0.500  0.594  0.810  1.0
  Se  Se9  1  0.000  0.406  0.690  1.0
  Se  Se10  1  0.500  0.594  0.190  1.0
  Se  Se11  1  0.000  0.406  0.310  1.0
  Cl  Cl12  1  0.000  0.858  0.500  1.0
  Cl  Cl13  1  0.500  0.142  0.000  1.0
  O  O14  1  0.000  0.002  0.863  1.0
  O  O15  1  0.000  0.425  0.869  1.0
  O  O16  1  0.500  0.575  0.369  1.0
  O  O17  1  0.289  0.740  0.838  1.0
  O  O18  1  0.211  0.260  0.338  1.0
  O  O19  1  0.789  0.260  0.338  1.0
  O  O20  1  0.500  0.998  0.637  1.0
  O  O21  1  0.711  0.740  0.838  1.0
  O  O22  1  0.711  0.740  0.162  1.0
  O  O23  1  0.789  0.260  0.662  1.0
  O  O24  1  0.000  0.002  0.137  1.0
  O  O25  1  0.500  0.998  0.363  1.0
  O  O26  1  0.211  0.260  0.662  1.0
  O  O27  1  0.289  0.740  0.162  1.0
  O  O28  1  0.500  0.575  0.631  1.0
  O  O29  1  0.000  0.425  0.131  1.0
[/CIF]
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The material structure described by (YNi3(SeO4)2)2Cl2 crystallizes in the orthorhombic Pmmn space group. The structure consists of two hydrochloric acid atoms inside a YNi3(SeO4)2 framework. In the YNi3(SeO4)2 framework, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OYNi3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one Ni(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Y(1), one Ni(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_YNi3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.416
_cell_length_b   7.157
_cell_length_c   9.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.493
_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
  Y  Y0  1  0.000  0.741  0.000  1.0
  Y  Y1  1  0.500  0.259  0.500  1.0
  Ni  Ni2  1  0.250  0.000  0.750  1.0
  Ni  Ni3  1  0.250  0.000  0.250  1.0
  Ni  Ni4  1  0.750  0.000  0.750  1.0
  Ni  Ni5  1  0.500  0.796  0.500  1.0
  Ni  Ni6  1  0.000  0.204  0.000  1.0
  Ni  Ni7  1  0.750  0.000  0.250  1.0
  Se  Se8  1  0.500  0.594  0.810  1.0
  Se  Se9  1  0.000  0.406  0.690  1.0
  Se  Se10  1  0.500  0.594  0.190  1.0
  Se  Se11  1  0.000  0.406  0.310  1.0
  Cl  Cl12  1  0.000  0.858  0.500  1.0
  Cl  Cl13  1  0.500  0.142  0.000  1.0
  O  O14  1  0.000  0.002  0.863  1.0
  O  O15  1  0.000  0.425  0.869  1.0
  O  O16  1  0.500  0.575  0.369  1.0
  O  O17  1  0.289  0.740  0.838  1.0
  O  O18  1  0.211  0.260  0.338  1.0
  O  O19  1  0.789  0.260  0.338  1.0
  O  O20  1  0.500  0.998  0.637  1.0
  O  O21  1  0.711  0.740  0.838  1.0
  O  O22  1  0.711  0.740  0.162  1.0
  O  O23  1  0.789  0.260  0.662  1.0
  O  O24  1  0.000  0.002  0.137  1.0
  O  O25  1  0.500  0.998  0.363  1.0
  O  O26  1  0.211  0.260  0.662  1.0
  O  O27  1  0.289  0.740  0.162  1.0
  O  O28  1  0.500  0.575  0.631  1.0
  O  O29  1  0.000  0.425  0.131  1.0
[/CIF]
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