The crystal structure described by Na5Cr3F14 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one F(5), one F(6), one F(7), and two equivalent F(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Cr site, Cr(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the third Cr site, Cr(3) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Cr(2) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(3), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing FNa3Cr tetrahedra. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Cr(1), and one Cr(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one Na(3), and one Cr(3) atom. In the sixth F site, F(6) is bonded to one Na(1), one Na(2), one Na(3), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing FNa3Cr tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Na5Cr3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.404
_cell_length_c   12.907
_cell_angle_alpha   55.824
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.501
_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
  Na  Na0  1  0.798  0.987  0.748  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.236  0.522  0.757  1.0
  Na  Na3  1  0.702  0.987  0.248  1.0
  Na  Na4  1  0.764  0.478  0.243  1.0
  Na  Na5  1  0.202  0.013  0.252  1.0
  Na  Na6  1  0.736  0.478  0.743  1.0
  Na  Na7  1  0.000  0.500  0.500  1.0
  Na  Na8  1  0.264  0.522  0.257  1.0
  Na  Na9  1  0.298  0.013  0.752  1.0
  Cr  Cr10  1  0.000  0.000  0.000  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Cr  Cr12  1  0.500  0.000  0.500  1.0
  Cr  Cr13  1  0.000  0.500  0.000  1.0
  Cr  Cr14  1  0.500  0.500  0.500  1.0
  Cr  Cr15  1  0.500  0.000  0.000  1.0
  F  F16  1  0.060  0.049  0.629  1.0
  F  F17  1  0.510  0.684  0.118  1.0
  F  F18  1  0.252  0.967  0.460  1.0
  F  F19  1  0.082  0.251  0.997  1.0
  F  F20  1  0.748  0.033  0.540  1.0
  F  F21  1  0.668  0.604  0.362  1.0
  F  F22  1  0.918  0.749  0.003  1.0
  F  F23  1  0.332  0.396  0.638  1.0
  F  F24  1  0.010  0.316  0.382  1.0
  F  F25  1  0.752  0.033  0.040  1.0
  F  F26  1  0.248  0.967  0.960  1.0
  F  F27  1  0.704  0.349  0.612  1.0
  F  F28  1  0.168  0.396  0.138  1.0
  F  F29  1  0.456  0.814  0.677  1.0
  F  F30  1  0.940  0.951  0.371  1.0
  F  F31  1  0.490  0.316  0.882  1.0
  F  F32  1  0.204  0.651  0.888  1.0
  F  F33  1  0.544  0.186  0.323  1.0
  F  F34  1  0.832  0.604  0.862  1.0
  F  F35  1  0.418  0.251  0.497  1.0
  F  F36  1  0.990  0.684  0.618  1.0
  F  F37  1  0.440  0.049  0.129  1.0
  F  F38  1  0.956  0.186  0.823  1.0
  F  F39  1  0.296  0.651  0.388  1.0
  F  F40  1  0.044  0.814  0.177  1.0
  F  F41  1  0.796  0.349  0.112  1.0
  F  F42  1  0.560  0.951  0.871  1.0
  F  F43  1  0.582  0.749  0.503  1.0
[/CIF]
.
The crystal structure described by Na5Cr3F14 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(3), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one F(5), one F(6), one F(7), and two equivalent F(2) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Cr site, Cr(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the third Cr site, Cr(3) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Cr(2) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(3), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing FNa3Cr tetrahedra. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Cr(1), and one Cr(2) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one Na(3), and one Cr(3) atom. In the sixth F site, F(6) is bonded to one Na(1), one Na(2), one Na(3), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing FNa3Cr tetrahedra. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Na5Cr3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.355
_cell_length_b   7.404
_cell_length_c   12.907
_cell_angle_alpha   55.824
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   581.501
_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
  Na  Na0  1  0.798  0.987  0.748  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.236  0.522  0.757  1.0
  Na  Na3  1  0.702  0.987  0.248  1.0
  Na  Na4  1  0.764  0.478  0.243  1.0
  Na  Na5  1  0.202  0.013  0.252  1.0
  Na  Na6  1  0.736  0.478  0.743  1.0
  Na  Na7  1  0.000  0.500  0.500  1.0
  Na  Na8  1  0.264  0.522  0.257  1.0
  Na  Na9  1  0.298  0.013  0.752  1.0
  Cr  Cr10  1  0.000  0.000  0.000  1.0
  Cr  Cr11  1  0.000  0.000  0.500  1.0
  Cr  Cr12  1  0.500  0.000  0.500  1.0
  Cr  Cr13  1  0.000  0.500  0.000  1.0
  Cr  Cr14  1  0.500  0.500  0.500  1.0
  Cr  Cr15  1  0.500  0.000  0.000  1.0
  F  F16  1  0.060  0.049  0.629  1.0
  F  F17  1  0.510  0.684  0.118  1.0
  F  F18  1  0.252  0.967  0.460  1.0
  F  F19  1  0.082  0.251  0.997  1.0
  F  F20  1  0.748  0.033  0.540  1.0
  F  F21  1  0.668  0.604  0.362  1.0
  F  F22  1  0.918  0.749  0.003  1.0
  F  F23  1  0.332  0.396  0.638  1.0
  F  F24  1  0.010  0.316  0.382  1.0
  F  F25  1  0.752  0.033  0.040  1.0
  F  F26  1  0.248  0.967  0.960  1.0
  F  F27  1  0.704  0.349  0.612  1.0
  F  F28  1  0.168  0.396  0.138  1.0
  F  F29  1  0.456  0.814  0.677  1.0
  F  F30  1  0.940  0.951  0.371  1.0
  F  F31  1  0.490  0.316  0.882  1.0
  F  F32  1  0.204  0.651  0.888  1.0
  F  F33  1  0.544  0.186  0.323  1.0
  F  F34  1  0.832  0.604  0.862  1.0
  F  F35  1  0.418  0.251  0.497  1.0
  F  F36  1  0.990  0.684  0.618  1.0
  F  F37  1  0.440  0.049  0.129  1.0
  F  F38  1  0.956  0.186  0.823  1.0
  F  F39  1  0.296  0.651  0.388  1.0
  F  F40  1  0.044  0.814  0.177  1.0
  F  F41  1  0.796  0.349  0.112  1.0
  F  F42  1  0.560  0.951  0.871  1.0
  F  F43  1  0.582  0.749  0.503  1.0
[/CIF]
.