The material structure described by BeDyNF6 crystallizes in the monoclinic P2_1/m space group. Be(1) is bonded in a tetrahedral geometry to one F(2), one F(4), and two equivalent F(1) atoms. Dy(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. N(1) is bonded in an L-shaped geometry to two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Be(1) and one Dy(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Dy(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Dy(1) and one N(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Dy(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   6.630
_cell_length_c   7.499
_cell_angle_alpha   66.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.722
_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
  Dy  Dy0  1  0.250  0.375  0.219  1.0
  Dy  Dy1  1  0.750  0.625  0.781  1.0
  Be  Be2  1  0.250  0.782  0.451  1.0
  Be  Be3  1  0.750  0.218  0.549  1.0
  N  N4  1  0.250  0.217  0.846  1.0
  N  N5  1  0.750  0.783  0.154  1.0
  F  F6  1  0.464  0.751  0.585  1.0
  F  F7  1  0.536  0.249  0.415  1.0
  F  F8  1  0.964  0.249  0.415  1.0
  F  F9  1  0.036  0.751  0.585  1.0
  F  F10  1  0.250  0.604  0.366  1.0
  F  F11  1  0.750  0.396  0.634  1.0
  F  F12  1  0.547  0.647  0.049  1.0
  F  F13  1  0.453  0.353  0.951  1.0
  F  F14  1  0.047  0.353  0.951  1.0
  F  F15  1  0.953  0.647  0.049  1.0
  F  F16  1  0.250  0.016  0.282  1.0
  F  F17  1  0.750  0.984  0.718  1.0
[/CIF]
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The material structure described by BeDyNF6 crystallizes in the monoclinic P2_1/m space group. Be(1) is bonded in a tetrahedral geometry to one F(2), one F(4), and two equivalent F(1) atoms. Dy(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. N(1) is bonded in an L-shaped geometry to two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Be(1) and one Dy(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Dy(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Dy(1) and one N(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Dy(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   6.630
_cell_length_c   7.499
_cell_angle_alpha   66.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.722
_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
  Dy  Dy0  1  0.250  0.375  0.219  1.0
  Dy  Dy1  1  0.750  0.625  0.781  1.0
  Be  Be2  1  0.250  0.782  0.451  1.0
  Be  Be3  1  0.750  0.218  0.549  1.0
  N  N4  1  0.250  0.217  0.846  1.0
  N  N5  1  0.750  0.783  0.154  1.0
  F  F6  1  0.464  0.751  0.585  1.0
  F  F7  1  0.536  0.249  0.415  1.0
  F  F8  1  0.964  0.249  0.415  1.0
  F  F9  1  0.036  0.751  0.585  1.0
  F  F10  1  0.250  0.604  0.366  1.0
  F  F11  1  0.750  0.396  0.634  1.0
  F  F12  1  0.547  0.647  0.049  1.0
  F  F13  1  0.453  0.353  0.951  1.0
  F  F14  1  0.047  0.353  0.951  1.0
  F  F15  1  0.953  0.647  0.049  1.0
  F  F16  1  0.250  0.016  0.282  1.0
  F  F17  1  0.750  0.984  0.718  1.0
[/CIF]
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