The compound described by Na2CrF4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing CrF6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded to three equivalent Na(1) and two equivalent Cr(1) atoms to form distorted FNa3Cr2 trigonal bipyramids that share corners with four equivalent F(1)Na4Cr trigonal bipyramids, corners with eight equivalent F(2)Na3Cr2 trigonal bipyramids, edges with two equivalent F(2)Na3Cr2 trigonal bipyramids, and edges with six equivalent F(1)Na4Cr trigonal bipyramids. In the second F site, F(1) is bonded to four equivalent Na(1) and one Cr(1) atom to form distorted FNa4Cr trigonal bipyramids that share corners with four equivalent F(2)Na3Cr2 trigonal bipyramids, corners with five equivalent F(1)Na4Cr trigonal bipyramids, edges with four equivalent F(1)Na4Cr trigonal bipyramids, and edges with six equivalent F(2)Na3Cr2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na2CrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.339
_cell_length_b   5.628
_cell_length_c   9.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.497
_symmetry_Int_Tables_number   1
_cell_volume   175.099
_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  0.488  0.578  0.818  1.0
  Na  Na1  1  0.512  0.922  0.318  1.0
  Na  Na2  1  0.488  0.078  0.682  1.0
  Na  Na3  1  0.512  0.422  0.182  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.992  0.368  0.696  1.0
  F  F7  1  0.008  0.132  0.196  1.0
  F  F8  1  0.008  0.632  0.304  1.0
  F  F9  1  0.992  0.868  0.804  1.0
  F  F10  1  0.429  0.243  0.951  1.0
  F  F11  1  0.571  0.257  0.451  1.0
  F  F12  1  0.429  0.743  0.549  1.0
  F  F13  1  0.571  0.757  0.049  1.0
[/CIF]
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The compound described by Na2CrF4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form edge-sharing CrF6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded to three equivalent Na(1) and two equivalent Cr(1) atoms to form distorted FNa3Cr2 trigonal bipyramids that share corners with four equivalent F(1)Na4Cr trigonal bipyramids, corners with eight equivalent F(2)Na3Cr2 trigonal bipyramids, edges with two equivalent F(2)Na3Cr2 trigonal bipyramids, and edges with six equivalent F(1)Na4Cr trigonal bipyramids. In the second F site, F(1) is bonded to four equivalent Na(1) and one Cr(1) atom to form distorted FNa4Cr trigonal bipyramids that share corners with four equivalent F(2)Na3Cr2 trigonal bipyramids, corners with five equivalent F(1)Na4Cr trigonal bipyramids, edges with four equivalent F(1)Na4Cr trigonal bipyramids, and edges with six equivalent F(2)Na3Cr2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na2CrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.339
_cell_length_b   5.628
_cell_length_c   9.326
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.497
_symmetry_Int_Tables_number   1
_cell_volume   175.099
_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  0.488  0.578  0.818  1.0
  Na  Na1  1  0.512  0.922  0.318  1.0
  Na  Na2  1  0.488  0.078  0.682  1.0
  Na  Na3  1  0.512  0.422  0.182  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.992  0.368  0.696  1.0
  F  F7  1  0.008  0.132  0.196  1.0
  F  F8  1  0.008  0.632  0.304  1.0
  F  F9  1  0.992  0.868  0.804  1.0
  F  F10  1  0.429  0.243  0.951  1.0
  F  F11  1  0.571  0.257  0.451  1.0
  F  F12  1  0.429  0.743  0.549  1.0
  F  F13  1  0.571  0.757  0.049  1.0
[/CIF]
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