The crystal structure described by K3YbN6 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. Yb(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded to four equivalent K(1) and one Yb(1) atom to form a mixture of distorted edge, corner, and face-sharing NK4Yb trigonal bipyramids. is represented by the CIF card [CIF]
data_K3YbN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   7.851
_cell_angle_alpha   85.786
_cell_angle_beta   85.786
_cell_angle_gamma   85.786
_symmetry_Int_Tables_number   1
_cell_volume   480.213
_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  0.750  0.408  0.092  1.0
  K  K1  1  0.408  0.092  0.750  1.0
  K  K2  1  0.092  0.750  0.408  1.0
  K  K3  1  0.250  0.592  0.908  1.0
  K  K4  1  0.592  0.908  0.250  1.0
  K  K5  1  0.908  0.250  0.592  1.0
  Yb  Yb6  1  0.500  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.000  0.000  1.0
  N  N8  1  0.221  0.415  0.605  1.0
  N  N9  1  0.415  0.605  0.221  1.0
  N  N10  1  0.605  0.221  0.415  1.0
  N  N11  1  0.279  0.895  0.085  1.0
  N  N12  1  0.085  0.279  0.895  1.0
  N  N13  1  0.895  0.085  0.279  1.0
  N  N14  1  0.585  0.395  0.779  1.0
  N  N15  1  0.395  0.779  0.585  1.0
  N  N16  1  0.779  0.585  0.395  1.0
  N  N17  1  0.915  0.721  0.105  1.0
  N  N18  1  0.105  0.915  0.721  1.0
  N  N19  1  0.721  0.105  0.915  1.0
[/CIF]
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The crystal structure described by K3YbN6 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. Yb(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded to four equivalent K(1) and one Yb(1) atom to form a mixture of distorted edge, corner, and face-sharing NK4Yb trigonal bipyramids. is represented by the CIF card [CIF]
data_K3YbN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   7.851
_cell_angle_alpha   85.786
_cell_angle_beta   85.786
_cell_angle_gamma   85.786
_symmetry_Int_Tables_number   1
_cell_volume   480.213
_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  0.750  0.408  0.092  1.0
  K  K1  1  0.408  0.092  0.750  1.0
  K  K2  1  0.092  0.750  0.408  1.0
  K  K3  1  0.250  0.592  0.908  1.0
  K  K4  1  0.592  0.908  0.250  1.0
  K  K5  1  0.908  0.250  0.592  1.0
  Yb  Yb6  1  0.500  0.500  0.500  1.0
  Yb  Yb7  1  0.000  0.000  0.000  1.0
  N  N8  1  0.221  0.415  0.605  1.0
  N  N9  1  0.415  0.605  0.221  1.0
  N  N10  1  0.605  0.221  0.415  1.0
  N  N11  1  0.279  0.895  0.085  1.0
  N  N12  1  0.085  0.279  0.895  1.0
  N  N13  1  0.895  0.085  0.279  1.0
  N  N14  1  0.585  0.395  0.779  1.0
  N  N15  1  0.395  0.779  0.585  1.0
  N  N16  1  0.779  0.585  0.395  1.0
  N  N17  1  0.915  0.721  0.105  1.0
  N  N18  1  0.105  0.915  0.721  1.0
  N  N19  1  0.721  0.105  0.915  1.0
[/CIF]
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