The material structure described by RbNiC2N2Cl crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a square co-planar geometry to four equivalent Cl(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent Cl(1) atoms. C(1) is bonded in a linear geometry to one Ni(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Ni(2) and one C(1) atom. Cl(1) is bonded to four equivalent Rb(1) and one Ni(2) atom to form a mixture of distorted edge and corner-sharing ClRb4Ni square pyramids. is represented by the CIF card [CIF]
data_RbNiC2N2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.633
_cell_length_b   7.633
_cell_length_c   7.633
_cell_angle_alpha   124.758
_cell_angle_beta   124.758
_cell_angle_gamma   81.939
_symmetry_Int_Tables_number   1
_cell_volume   288.647
_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
  Rb  Rb0  1  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.183  0.183  0.366  1.0
  C  C5  1  0.817  0.817  0.634  1.0
  C  C6  1  0.183  0.817  0.000  1.0
  C  C7  1  0.817  0.183  0.000  1.0
  N  N8  1  0.700  0.700  0.400  1.0
  N  N9  1  0.300  0.300  0.600  1.0
  N  N10  1  0.700  0.300  0.000  1.0
  N  N11  1  0.300  0.700  0.000  1.0
  Cl  Cl12  1  0.720  0.720  0.000  1.0
  Cl  Cl13  1  0.280  0.280  0.000  1.0
[/CIF]
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The material structure described by RbNiC2N2Cl crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a square co-planar geometry to four equivalent Cl(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. In the second Ni site, Ni(2) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent Cl(1) atoms. C(1) is bonded in a linear geometry to one Ni(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Ni(2) and one C(1) atom. Cl(1) is bonded to four equivalent Rb(1) and one Ni(2) atom to form a mixture of distorted edge and corner-sharing ClRb4Ni square pyramids. is represented by the CIF card [CIF]
data_RbNiC2N2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.633
_cell_length_b   7.633
_cell_length_c   7.633
_cell_angle_alpha   124.758
_cell_angle_beta   124.758
_cell_angle_gamma   81.939
_symmetry_Int_Tables_number   1
_cell_volume   288.647
_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
  Rb  Rb0  1  0.750  0.250  0.500  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  C  C4  1  0.183  0.183  0.366  1.0
  C  C5  1  0.817  0.817  0.634  1.0
  C  C6  1  0.183  0.817  0.000  1.0
  C  C7  1  0.817  0.183  0.000  1.0
  N  N8  1  0.700  0.700  0.400  1.0
  N  N9  1  0.300  0.300  0.600  1.0
  N  N10  1  0.700  0.300  0.000  1.0
  N  N11  1  0.300  0.700  0.000  1.0
  Cl  Cl12  1  0.720  0.720  0.000  1.0
  Cl  Cl13  1  0.280  0.280  0.000  1.0
[/CIF]
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