The crystal structure described by Rb2Ni3Se4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(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 Se(1) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 3-coordinate geometry to four equivalent Rb(1), one Ni(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Ni3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.091
_cell_length_c   14.269
_cell_angle_alpha   83.929
_cell_angle_beta   77.732
_cell_angle_gamma   60.148
_symmetry_Int_Tables_number   1
_cell_volume   446.652
_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  0.548  0.750  0.904  1.0
  Rb  Rb1  1  0.702  0.750  0.596  1.0
  Rb  Rb2  1  0.452  0.250  0.096  1.0
  Rb  Rb3  1  0.298  0.250  0.404  1.0
  Ni  Ni4  1  0.875  0.750  0.249  1.0
  Ni  Ni5  1  0.375  0.750  0.251  1.0
  Ni  Ni6  1  0.125  0.250  0.751  1.0
  Ni  Ni7  1  0.125  0.750  0.750  1.0
  Ni  Ni8  1  0.875  0.250  0.250  1.0
  Ni  Ni9  1  0.625  0.250  0.749  1.0
  Se  Se10  1  0.239  0.417  0.860  1.0
  Se  Se11  1  0.016  0.083  0.640  1.0
  Se  Se12  1  0.344  0.417  0.640  1.0
  Se  Se13  1  0.901  0.083  0.860  1.0
  Se  Se14  1  0.761  0.583  0.140  1.0
  Se  Se15  1  0.984  0.917  0.360  1.0
  Se  Se16  1  0.656  0.583  0.360  1.0
  Se  Se17  1  0.099  0.917  0.140  1.0
[/CIF]
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The crystal structure described by Rb2Ni3Se4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent Se(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 Se(1) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 3-coordinate geometry to four equivalent Rb(1), one Ni(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Ni3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.091
_cell_length_c   14.269
_cell_angle_alpha   83.929
_cell_angle_beta   77.732
_cell_angle_gamma   60.148
_symmetry_Int_Tables_number   1
_cell_volume   446.652
_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  0.548  0.750  0.904  1.0
  Rb  Rb1  1  0.702  0.750  0.596  1.0
  Rb  Rb2  1  0.452  0.250  0.096  1.0
  Rb  Rb3  1  0.298  0.250  0.404  1.0
  Ni  Ni4  1  0.875  0.750  0.249  1.0
  Ni  Ni5  1  0.375  0.750  0.251  1.0
  Ni  Ni6  1  0.125  0.250  0.751  1.0
  Ni  Ni7  1  0.125  0.750  0.750  1.0
  Ni  Ni8  1  0.875  0.250  0.250  1.0
  Ni  Ni9  1  0.625  0.250  0.749  1.0
  Se  Se10  1  0.239  0.417  0.860  1.0
  Se  Se11  1  0.016  0.083  0.640  1.0
  Se  Se12  1  0.344  0.417  0.640  1.0
  Se  Se13  1  0.901  0.083  0.860  1.0
  Se  Se14  1  0.761  0.583  0.140  1.0
  Se  Se15  1  0.984  0.917  0.360  1.0
  Se  Se16  1  0.656  0.583  0.360  1.0
  Se  Se17  1  0.099  0.917  0.140  1.0
[/CIF]
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