The compound described by K3NaMoC4(N2O)2 crystallizes in the orthorhombic Pmna space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), two equivalent N(1), and two equivalent N(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent C(2), two equivalent N(1), two equivalent N(2), and two equivalent O(1) atoms. Na(1) is bonded in a linear geometry to two equivalent N(1) atoms. Mo(1) is bonded in a distorted octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mo(1), and one N(2) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Mo(1), and one N(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to one K(2), two equivalent K(1), one Na(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted square co-planar geometry to one K(2), two equivalent K(1), and one C(1) atom. O(1) is bonded in a bent 120 degrees geometry to one K(2) and one Mo(1) atom. is represented by the CIF file [CIF]
data_K3NaMoC4(N2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   12.485
_cell_length_c   7.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.744
_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  0.751  0.750  0.750  1.0
  K  K1  1  0.249  0.250  0.250  1.0
  K  K2  1  0.249  0.750  0.250  1.0
  K  K3  1  0.751  0.250  0.750  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  K  K5  1  0.000  0.500  0.500  1.0
  Na  Na6  1  0.500  0.000  0.000  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Mo  Mo8  1  0.000  0.500  0.000  1.0
  Mo  Mo9  1  0.000  0.000  0.500  1.0
  C  C10  1  0.000  0.677  0.000  1.0
  C  C11  1  0.000  0.323  0.000  1.0
  C  C12  1  0.000  0.823  0.500  1.0
  C  C13  1  0.000  0.177  0.500  1.0
  C  C14  1  0.780  0.000  0.672  1.0
  C  C15  1  0.220  0.000  0.328  1.0
  C  C16  1  0.220  0.500  0.172  1.0
  C  C17  1  0.780  0.500  0.828  1.0
  N  N18  1  0.678  0.000  0.783  1.0
  N  N19  1  0.322  0.000  0.217  1.0
  N  N20  1  0.322  0.500  0.283  1.0
  N  N21  1  0.678  0.500  0.717  1.0
  N  N22  1  0.000  0.771  0.000  1.0
  N  N23  1  0.000  0.229  0.000  1.0
  N  N24  1  0.000  0.729  0.500  1.0
  N  N25  1  0.000  0.271  0.500  1.0
  O  O26  1  0.859  0.000  0.310  1.0
  O  O27  1  0.141  0.000  0.690  1.0
  O  O28  1  0.141  0.500  0.810  1.0
  O  O29  1  0.859  0.500  0.190  1.0
[/CIF]
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The compound described by K3NaMoC4(N2O)2 crystallizes in the orthorhombic Pmna space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), two equivalent N(1), and two equivalent N(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent C(2), two equivalent N(1), two equivalent N(2), and two equivalent O(1) atoms. Na(1) is bonded in a linear geometry to two equivalent N(1) atoms. Mo(1) is bonded in a distorted octahedral geometry to two equivalent C(1), two equivalent C(2), and two equivalent O(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mo(1), and one N(2) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Mo(1), and one N(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to one K(2), two equivalent K(1), one Na(1), and one C(2) atom. In the second N site, N(2) is bonded in a distorted square co-planar geometry to one K(2), two equivalent K(1), and one C(1) atom. O(1) is bonded in a bent 120 degrees geometry to one K(2) and one Mo(1) atom. is represented by the CIF file [CIF]
data_K3NaMoC4(N2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   12.485
_cell_length_c   7.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.744
_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  0.751  0.750  0.750  1.0
  K  K1  1  0.249  0.250  0.250  1.0
  K  K2  1  0.249  0.750  0.250  1.0
  K  K3  1  0.751  0.250  0.750  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  K  K5  1  0.000  0.500  0.500  1.0
  Na  Na6  1  0.500  0.000  0.000  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Mo  Mo8  1  0.000  0.500  0.000  1.0
  Mo  Mo9  1  0.000  0.000  0.500  1.0
  C  C10  1  0.000  0.677  0.000  1.0
  C  C11  1  0.000  0.323  0.000  1.0
  C  C12  1  0.000  0.823  0.500  1.0
  C  C13  1  0.000  0.177  0.500  1.0
  C  C14  1  0.780  0.000  0.672  1.0
  C  C15  1  0.220  0.000  0.328  1.0
  C  C16  1  0.220  0.500  0.172  1.0
  C  C17  1  0.780  0.500  0.828  1.0
  N  N18  1  0.678  0.000  0.783  1.0
  N  N19  1  0.322  0.000  0.217  1.0
  N  N20  1  0.322  0.500  0.283  1.0
  N  N21  1  0.678  0.500  0.717  1.0
  N  N22  1  0.000  0.771  0.000  1.0
  N  N23  1  0.000  0.229  0.000  1.0
  N  N24  1  0.000  0.729  0.500  1.0
  N  N25  1  0.000  0.271  0.500  1.0
  O  O26  1  0.859  0.000  0.310  1.0
  O  O27  1  0.141  0.000  0.690  1.0
  O  O28  1  0.141  0.500  0.810  1.0
  O  O29  1  0.859  0.500  0.190  1.0
[/CIF]
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