The crystal structure described by K2NdF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Nd(1) is bonded to one F(1), one F(2), one F(3), and four equivalent F(4) atoms to form distorted edge-sharing NdF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Nd(1) atom to form distorted FK4Nd trigonal bipyramids that share corners with four equivalent F(4)K2Nd2 tetrahedra, corners with four equivalent F(1)K4Nd trigonal bipyramids, corners with four equivalent F(3)K4Nd trigonal bipyramids, edges with four equivalent F(4)K2Nd2 tetrahedra,  an edgeedge with one F(3)K4Nd trigonal bipyramid, and  a faceface with one F(3)K4Nd trigonal bipyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Nd(1) atom. In the third F site, F(3) is bonded to four equivalent K(1) and one Nd(1) atom to form distorted FK4Nd trigonal bipyramids that share corners with eight equivalent F(4)K2Nd2 tetrahedra, corners with four equivalent F(1)K4Nd trigonal bipyramids, edges with two equivalent F(4)K2Nd2 tetrahedra,  an edgeedge with one F(1)K4Nd trigonal bipyramid, edges with two equivalent F(3)K4Nd trigonal bipyramids, and  a faceface with one F(1)K4Nd trigonal bipyramid. In the fourth F site, F(4) is bonded to two equivalent K(1) and two equivalent Nd(1) atoms to form distorted FK2Nd2 tetrahedra that share corners with six equivalent F(4)K2Nd2 tetrahedra, corners with two equivalent F(1)K4Nd trigonal bipyramids, corners with four equivalent F(3)K4Nd trigonal bipyramids,  an edgeedge with one F(4)K2Nd2 tetrahedra,  an edgeedge with one F(3)K4Nd trigonal bipyramid, and edges with two equivalent F(1)K4Nd trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2NdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   7.500
_cell_length_c   10.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.183
_cell_formula_units_Z   4
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  0.529  0.497  0.828  1.0
  K  K1  1  0.471  0.503  0.172  1.0
  K  K2  1  0.029  0.503  0.672  1.0
  K  K3  1  0.471  0.997  0.172  1.0
  K  K4  1  0.971  0.497  0.328  1.0
  K  K5  1  0.529  0.003  0.828  1.0
  K  K6  1  0.971  0.003  0.328  1.0
  K  K7  1  0.029  0.997  0.672  1.0
  Nd  Nd8  1  0.569  0.750  0.504  1.0
  Nd  Nd9  1  0.431  0.250  0.496  1.0
  Nd  Nd10  1  0.069  0.250  0.996  1.0
  Nd  Nd11  1  0.931  0.750  0.004  1.0
  F  F12  1  0.825  0.750  0.798  1.0
  F  F13  1  0.175  0.250  0.202  1.0
  F  F14  1  0.325  0.250  0.702  1.0
  F  F15  1  0.675  0.750  0.298  1.0
  F  F16  1  0.356  0.750  0.672  1.0
  F  F17  1  0.644  0.250  0.328  1.0
  F  F18  1  0.856  0.250  0.828  1.0
  F  F19  1  0.144  0.750  0.172  1.0
  F  F20  1  0.913  0.750  0.510  1.0
  F  F21  1  0.087  0.250  0.490  1.0
  F  F22  1  0.413  0.250  0.990  1.0
  F  F23  1  0.587  0.750  0.010  1.0
  F  F24  1  0.648  0.034  0.584  1.0
  F  F25  1  0.352  0.966  0.416  1.0
  F  F26  1  0.148  0.966  0.916  1.0
  F  F27  1  0.352  0.534  0.416  1.0
  F  F28  1  0.852  0.034  0.084  1.0
  F  F29  1  0.648  0.466  0.584  1.0
  F  F30  1  0.852  0.466  0.084  1.0
  F  F31  1  0.148  0.534  0.916  1.0
[/CIF]
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The crystal structure described by K2NdF5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Nd(1) is bonded to one F(1), one F(2), one F(3), and four equivalent F(4) atoms to form distorted edge-sharing NdF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Nd(1) atom to form distorted FK4Nd trigonal bipyramids that share corners with four equivalent F(4)K2Nd2 tetrahedra, corners with four equivalent F(1)K4Nd trigonal bipyramids, corners with four equivalent F(3)K4Nd trigonal bipyramids, edges with four equivalent F(4)K2Nd2 tetrahedra,  an edgeedge with one F(3)K4Nd trigonal bipyramid, and  a faceface with one F(3)K4Nd trigonal bipyramid. In the second F site, F(2) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Nd(1) atom. In the third F site, F(3) is bonded to four equivalent K(1) and one Nd(1) atom to form distorted FK4Nd trigonal bipyramids that share corners with eight equivalent F(4)K2Nd2 tetrahedra, corners with four equivalent F(1)K4Nd trigonal bipyramids, edges with two equivalent F(4)K2Nd2 tetrahedra,  an edgeedge with one F(1)K4Nd trigonal bipyramid, edges with two equivalent F(3)K4Nd trigonal bipyramids, and  a faceface with one F(1)K4Nd trigonal bipyramid. In the fourth F site, F(4) is bonded to two equivalent K(1) and two equivalent Nd(1) atoms to form distorted FK2Nd2 tetrahedra that share corners with six equivalent F(4)K2Nd2 tetrahedra, corners with two equivalent F(1)K4Nd trigonal bipyramids, corners with four equivalent F(3)K4Nd trigonal bipyramids,  an edgeedge with one F(4)K2Nd2 tetrahedra,  an edgeedge with one F(3)K4Nd trigonal bipyramid, and edges with two equivalent F(1)K4Nd trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2NdF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   7.500
_cell_length_c   10.758
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.183
_cell_formula_units_Z   4
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  0.529  0.497  0.828  1.0
  K  K1  1  0.471  0.503  0.172  1.0
  K  K2  1  0.029  0.503  0.672  1.0
  K  K3  1  0.471  0.997  0.172  1.0
  K  K4  1  0.971  0.497  0.328  1.0
  K  K5  1  0.529  0.003  0.828  1.0
  K  K6  1  0.971  0.003  0.328  1.0
  K  K7  1  0.029  0.997  0.672  1.0
  Nd  Nd8  1  0.569  0.750  0.504  1.0
  Nd  Nd9  1  0.431  0.250  0.496  1.0
  Nd  Nd10  1  0.069  0.250  0.996  1.0
  Nd  Nd11  1  0.931  0.750  0.004  1.0
  F  F12  1  0.825  0.750  0.798  1.0
  F  F13  1  0.175  0.250  0.202  1.0
  F  F14  1  0.325  0.250  0.702  1.0
  F  F15  1  0.675  0.750  0.298  1.0
  F  F16  1  0.356  0.750  0.672  1.0
  F  F17  1  0.644  0.250  0.328  1.0
  F  F18  1  0.856  0.250  0.828  1.0
  F  F19  1  0.144  0.750  0.172  1.0
  F  F20  1  0.913  0.750  0.510  1.0
  F  F21  1  0.087  0.250  0.490  1.0
  F  F22  1  0.413  0.250  0.990  1.0
  F  F23  1  0.587  0.750  0.010  1.0
  F  F24  1  0.648  0.034  0.584  1.0
  F  F25  1  0.352  0.966  0.416  1.0
  F  F26  1  0.148  0.966  0.916  1.0
  F  F27  1  0.352  0.534  0.416  1.0
  F  F28  1  0.852  0.034  0.084  1.0
  F  F29  1  0.648  0.466  0.584  1.0
  F  F30  1  0.852  0.466  0.084  1.0
  F  F31  1  0.148  0.534  0.916  1.0
[/CIF]
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