The material structure described by K5Se3 crystallizes in the triclinic P1 space group. There are ten inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), one Se(5), one Se(6), and two equivalent Se(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(3) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(2) atoms. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the sixth K site, K(6) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the seventh K site, K(7) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), and two equivalent Se(3) atoms. In the eighth K site, K(8) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), one Se(5), one Se(6), and two equivalent Se(2) atoms. In the ninth K site, K(9) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(4) atoms. In the tenth K site, K(10) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(4) atoms. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 10-coordinate geometry to one K(10), one K(3), one K(4), one K(5), one K(6), one K(9), two equivalent K(1), and two equivalent K(2) atoms. In the second Se site, Se(2) is bonded in a 10-coordinate geometry to one K(1), one K(3), one K(5), one K(6), one K(7), one K(9), two equivalent K(4), and two equivalent K(8) atoms. In the third Se site, Se(3) is bonded in a 10-coordinate geometry to one K(10), one K(2), one K(4), one K(5), one K(6), one K(8), two equivalent K(3), and two equivalent K(7) atoms. In the fourth Se site, Se(4) is bonded in a 10-coordinate geometry to one K(1), one K(2), one K(5), one K(6), one K(7), one K(8), two equivalent K(10), and two equivalent K(9) atoms. In the fifth Se site, Se(5) is bonded in a 9-coordinate geometry to one K(1), one K(10), one K(2), one K(3), one K(4), one K(7), one K(8), one K(9), and one Se(6) atom. In the sixth Se site, Se(6) is bonded in a 9-coordinate geometry to one K(1), one K(10), one K(2), one K(3), one K(4), one K(7), one K(8), one K(9), and one Se(5) atom. is represented by the CIF card [CIF]
data_K5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   9.617
_cell_length_c   9.609
_cell_angle_alpha   95.667
_cell_angle_beta   108.280
_cell_angle_gamma   71.642
_symmetry_Int_Tables_number   1
_cell_volume   505.579
_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
  K  K0  1  0.912  0.874  0.694  1.0
  K  K1  1  0.720  0.867  0.316  1.0
  K  K2  1  0.213  0.694  0.127  1.0
  K  K3  1  0.592  0.684  0.869  1.0
  K  K4  1  0.247  0.500  0.499  1.0
  K  K5  1  0.748  0.500  0.502  1.0
  K  K6  1  0.408  0.316  0.134  1.0
  K  K7  1  0.782  0.305  0.873  1.0
  K  K8  1  0.275  0.133  0.683  1.0
  K  K9  1  0.086  0.126  0.304  1.0
  Se  Se10  1  0.340  0.810  0.496  1.0
  Se  Se11  1  0.153  0.502  0.811  1.0
  Se  Se12  1  0.843  0.497  0.190  1.0
  Se  Se13  1  0.654  0.190  0.502  1.0
  Se  Se14  1  0.298  0.999  0.999  1.0
  Se  Se15  1  0.697  0.000  0.999  1.0
[/CIF]
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The material structure described by K5Se3 crystallizes in the triclinic P1 space group. There are ten inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), one Se(5), one Se(6), and two equivalent Se(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(3) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(2) atoms. In the fifth K site, K(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the sixth K site, K(6) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. In the seventh K site, K(7) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), and two equivalent Se(3) atoms. In the eighth K site, K(8) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), one Se(5), one Se(6), and two equivalent Se(2) atoms. In the ninth K site, K(9) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(5), one Se(6), and two equivalent Se(4) atoms. In the tenth K site, K(10) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(4) atoms. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 10-coordinate geometry to one K(10), one K(3), one K(4), one K(5), one K(6), one K(9), two equivalent K(1), and two equivalent K(2) atoms. In the second Se site, Se(2) is bonded in a 10-coordinate geometry to one K(1), one K(3), one K(5), one K(6), one K(7), one K(9), two equivalent K(4), and two equivalent K(8) atoms. In the third Se site, Se(3) is bonded in a 10-coordinate geometry to one K(10), one K(2), one K(4), one K(5), one K(6), one K(8), two equivalent K(3), and two equivalent K(7) atoms. In the fourth Se site, Se(4) is bonded in a 10-coordinate geometry to one K(1), one K(2), one K(5), one K(6), one K(7), one K(8), two equivalent K(10), and two equivalent K(9) atoms. In the fifth Se site, Se(5) is bonded in a 9-coordinate geometry to one K(1), one K(10), one K(2), one K(3), one K(4), one K(7), one K(8), one K(9), and one Se(6) atom. In the sixth Se site, Se(6) is bonded in a 9-coordinate geometry to one K(1), one K(10), one K(2), one K(3), one K(4), one K(7), one K(8), one K(9), and one Se(5) atom. is represented by the CIF card [CIF]
data_K5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   9.617
_cell_length_c   9.609
_cell_angle_alpha   95.667
_cell_angle_beta   108.280
_cell_angle_gamma   71.642
_symmetry_Int_Tables_number   1
_cell_volume   505.579
_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
  K  K0  1  0.912  0.874  0.694  1.0
  K  K1  1  0.720  0.867  0.316  1.0
  K  K2  1  0.213  0.694  0.127  1.0
  K  K3  1  0.592  0.684  0.869  1.0
  K  K4  1  0.247  0.500  0.499  1.0
  K  K5  1  0.748  0.500  0.502  1.0
  K  K6  1  0.408  0.316  0.134  1.0
  K  K7  1  0.782  0.305  0.873  1.0
  K  K8  1  0.275  0.133  0.683  1.0
  K  K9  1  0.086  0.126  0.304  1.0
  Se  Se10  1  0.340  0.810  0.496  1.0
  Se  Se11  1  0.153  0.502  0.811  1.0
  Se  Se12  1  0.843  0.497  0.190  1.0
  Se  Se13  1  0.654  0.190  0.502  1.0
  Se  Se14  1  0.298  0.999  0.999  1.0
  Se  Se15  1  0.697  0.000  0.999  1.0
[/CIF]
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