The material structure described by Rb2Pd3Se4 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Se(2), one Se(8), three equivalent Se(1), and three equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 14-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), two equivalent Pd(6), one Se(5), one Se(6), three equivalent Se(3), and three equivalent Se(4) atoms. In the third Rb site, Rb(3) is bonded in a 14-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), two equivalent Pd(6), one Se(1), one Se(7), three equivalent Se(2), and three equivalent Se(8) atoms. In the fourth Rb site, Rb(4) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Se(3), one Se(4), three equivalent Se(5), and three equivalent Se(6) atoms. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the fourth Pd site, Pd(4) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the fifth Pd site, Pd(5) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. In the sixth Pd site, Pd(6) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Rb(3), three equivalent Rb(1), one Pd(2), one Pd(3), and one Pd(4) atom. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to one Rb(1), three equivalent Rb(3), one Pd(1), one Pd(5), and one Pd(6) atom. In the third Se site, Se(3) is bonded in a 7-coordinate geometry to one Rb(4), three equivalent Rb(2), one Pd(1), one Pd(5), and one Pd(6) atom. In the fourth Se site, Se(4) is bonded in a 7-coordinate geometry to one Rb(4), three equivalent Rb(2), one Pd(1), one Pd(5), and one Pd(6) atom. In the fifth Se site, Se(5) is bonded in a 7-coordinate geometry to one Rb(2), three equivalent Rb(4), one Pd(2), one Pd(3), and one Pd(4) atom. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one Rb(2), three equivalent Rb(4), one Pd(2), one Pd(3), and one Pd(4) atom. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one Rb(3), three equivalent Rb(1), one Pd(2), one Pd(3), and one Pd(4) atom. In the eighth Se site, Se(8) is bonded in a 7-coordinate geometry to one Rb(1), three equivalent Rb(3), one Pd(1), one Pd(5), and one Pd(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.180
_cell_length_b   14.447
_cell_length_c   6.538
_cell_angle_alpha   83.614
_cell_angle_beta   71.043
_cell_angle_gamma   25.343
_symmetry_Int_Tables_number   1
_cell_volume   518.220
_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  0.302  0.302  0.452  1.0
  Rb  Rb1  1  0.556  0.548  0.693  1.0
  Rb  Rb2  1  0.702  0.695  0.546  1.0
  Rb  Rb3  1  0.453  0.447  0.292  1.0
  Pd  Pd4  1  0.121  0.125  0.623  1.0
  Pd  Pd5  1  0.380  0.371  0.868  1.0
  Pd  Pd6  1  0.884  0.868  0.372  1.0
  Pd  Pd7  1  0.875  0.872  0.880  1.0
  Pd  Pd8  1  0.131  0.118  0.127  1.0
  Pd  Pd9  1  0.619  0.632  0.133  1.0
  Se  Se10  1  0.987  0.650  0.099  1.0
  Se  Se11  1  0.347  0.022  0.229  1.0
  Se  Se12  1  0.898  0.235  0.028  1.0
  Se  Se13  1  0.233  0.897  0.349  1.0
  Se  Se14  1  0.754  0.111  0.660  1.0
  Se  Se15  1  0.103  0.761  0.986  1.0
  Se  Se16  1  0.655  0.982  0.758  1.0
  Se  Se17  1  0.015  0.353  0.899  1.0
[/CIF]
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The material structure described by Rb2Pd3Se4 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Se(2), one Se(8), three equivalent Se(1), and three equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 14-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), two equivalent Pd(6), one Se(5), one Se(6), three equivalent Se(3), and three equivalent Se(4) atoms. In the third Rb site, Rb(3) is bonded in a 14-coordinate geometry to two equivalent Pd(1), two equivalent Pd(5), two equivalent Pd(6), one Se(1), one Se(7), three equivalent Se(2), and three equivalent Se(8) atoms. In the fourth Rb site, Rb(4) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Se(3), one Se(4), three equivalent Se(5), and three equivalent Se(6) atoms. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the fourth Pd site, Pd(4) is bonded in a distorted square co-planar geometry to two equivalent Rb(1), two equivalent Rb(4), one Se(1), one Se(5), one Se(6), and one Se(7) atom. In the fifth Pd site, Pd(5) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. In the sixth Pd site, Pd(6) is bonded in a distorted square co-planar geometry to two equivalent Rb(2), two equivalent Rb(3), one Se(2), one Se(3), one Se(4), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 7-coordinate geometry to one Rb(3), three equivalent Rb(1), one Pd(2), one Pd(3), and one Pd(4) atom. In the second Se site, Se(2) is bonded in a 7-coordinate geometry to one Rb(1), three equivalent Rb(3), one Pd(1), one Pd(5), and one Pd(6) atom. In the third Se site, Se(3) is bonded in a 7-coordinate geometry to one Rb(4), three equivalent Rb(2), one Pd(1), one Pd(5), and one Pd(6) atom. In the fourth Se site, Se(4) is bonded in a 7-coordinate geometry to one Rb(4), three equivalent Rb(2), one Pd(1), one Pd(5), and one Pd(6) atom. In the fifth Se site, Se(5) is bonded in a 7-coordinate geometry to one Rb(2), three equivalent Rb(4), one Pd(2), one Pd(3), and one Pd(4) atom. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one Rb(2), three equivalent Rb(4), one Pd(2), one Pd(3), and one Pd(4) atom. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one Rb(3), three equivalent Rb(1), one Pd(2), one Pd(3), and one Pd(4) atom. In the eighth Se site, Se(8) is bonded in a 7-coordinate geometry to one Rb(1), three equivalent Rb(3), one Pd(1), one Pd(5), and one Pd(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Pd3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.180
_cell_length_b   14.447
_cell_length_c   6.538
_cell_angle_alpha   83.614
_cell_angle_beta   71.043
_cell_angle_gamma   25.343
_symmetry_Int_Tables_number   1
_cell_volume   518.220
_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  0.302  0.302  0.452  1.0
  Rb  Rb1  1  0.556  0.548  0.693  1.0
  Rb  Rb2  1  0.702  0.695  0.546  1.0
  Rb  Rb3  1  0.453  0.447  0.292  1.0
  Pd  Pd4  1  0.121  0.125  0.623  1.0
  Pd  Pd5  1  0.380  0.371  0.868  1.0
  Pd  Pd6  1  0.884  0.868  0.372  1.0
  Pd  Pd7  1  0.875  0.872  0.880  1.0
  Pd  Pd8  1  0.131  0.118  0.127  1.0
  Pd  Pd9  1  0.619  0.632  0.133  1.0
  Se  Se10  1  0.987  0.650  0.099  1.0
  Se  Se11  1  0.347  0.022  0.229  1.0
  Se  Se12  1  0.898  0.235  0.028  1.0
  Se  Se13  1  0.233  0.897  0.349  1.0
  Se  Se14  1  0.754  0.111  0.660  1.0
  Se  Se15  1  0.103  0.761  0.986  1.0
  Se  Se16  1  0.655  0.982  0.758  1.0
  Se  Se17  1  0.015  0.353  0.899  1.0
[/CIF]
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