The structure described by K7NbAs4 crystallizes in the orthorhombic Pmn2_1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(1), two equivalent As(2), and two equivalent As(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one K(4), one As(1), one As(3), and two equivalent As(2) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one K(3), one Nb(1), one As(1), one As(3), and two equivalent As(2) atoms. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. Nb(1) is bonded in a tetrahedral geometry to one K(4), one As(1), one As(3), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one K(3), one K(4), one K(5), two equivalent K(1), two equivalent K(2), and one Nb(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one K(3), one K(4), one K(5), two equivalent K(1), two equivalent K(2), and one Nb(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one K(3), one K(4), two equivalent K(1), four equivalent K(2), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K7NbAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.335
_cell_length_b   9.158
_cell_length_c   10.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   783.513
_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  0.707  0.836  0.717  1.0
  K  K1  1  0.207  0.164  0.783  1.0
  K  K2  1  0.207  0.164  0.217  1.0
  K  K3  1  0.707  0.836  0.283  1.0
  K  K4  1  0.873  0.467  0.711  1.0
  K  K5  1  0.373  0.533  0.789  1.0
  K  K6  1  0.373  0.533  0.211  1.0
  K  K7  1  0.873  0.467  0.289  1.0
  K  K8  1  0.163  0.661  0.500  1.0
  K  K9  1  0.663  0.339  0.000  1.0
  K  K10  1  0.874  0.038  0.000  1.0
  K  K11  1  0.374  0.962  0.500  1.0
  K  K12  1  0.392  0.899  0.000  1.0
  K  K13  1  0.892  0.101  0.500  1.0
  Nb  Nb14  1  0.999  0.675  0.000  1.0
  Nb  Nb15  1  0.499  0.325  0.500  1.0
  As  As16  1  0.700  0.683  0.000  1.0
  As  As17  1  0.200  0.317  0.500  1.0
  As  As18  1  0.094  0.808  0.796  1.0
  As  As19  1  0.594  0.192  0.704  1.0
  As  As20  1  0.594  0.192  0.296  1.0
  As  As21  1  0.094  0.808  0.204  1.0
  As  As22  1  0.578  0.590  0.500  1.0
  As  As23  1  0.078  0.410  0.000  1.0
[/CIF]
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The structure described by K7NbAs4 crystallizes in the orthorhombic Pmn2_1 space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(1), two equivalent As(2), and two equivalent As(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to one K(4), one As(1), one As(3), and two equivalent As(2) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one K(3), one Nb(1), one As(1), one As(3), and two equivalent As(2) atoms. In the fifth K site, K(5) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. Nb(1) is bonded in a tetrahedral geometry to one K(4), one As(1), one As(3), and two equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one K(3), one K(4), one K(5), two equivalent K(1), two equivalent K(2), and one Nb(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one K(3), one K(4), one K(5), two equivalent K(1), two equivalent K(2), and one Nb(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one K(3), one K(4), two equivalent K(1), four equivalent K(2), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K7NbAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.335
_cell_length_b   9.158
_cell_length_c   10.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   783.513
_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  0.707  0.836  0.717  1.0
  K  K1  1  0.207  0.164  0.783  1.0
  K  K2  1  0.207  0.164  0.217  1.0
  K  K3  1  0.707  0.836  0.283  1.0
  K  K4  1  0.873  0.467  0.711  1.0
  K  K5  1  0.373  0.533  0.789  1.0
  K  K6  1  0.373  0.533  0.211  1.0
  K  K7  1  0.873  0.467  0.289  1.0
  K  K8  1  0.163  0.661  0.500  1.0
  K  K9  1  0.663  0.339  0.000  1.0
  K  K10  1  0.874  0.038  0.000  1.0
  K  K11  1  0.374  0.962  0.500  1.0
  K  K12  1  0.392  0.899  0.000  1.0
  K  K13  1  0.892  0.101  0.500  1.0
  Nb  Nb14  1  0.999  0.675  0.000  1.0
  Nb  Nb15  1  0.499  0.325  0.500  1.0
  As  As16  1  0.700  0.683  0.000  1.0
  As  As17  1  0.200  0.317  0.500  1.0
  As  As18  1  0.094  0.808  0.796  1.0
  As  As19  1  0.594  0.192  0.704  1.0
  As  As20  1  0.594  0.192  0.296  1.0
  As  As21  1  0.094  0.808  0.204  1.0
  As  As22  1  0.578  0.590  0.500  1.0
  As  As23  1  0.078  0.410  0.000  1.0
[/CIF]
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