The crystal structure described by BeYNF6 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. Y(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 Y(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Y(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Y(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 Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   6.608
_cell_length_c   7.470
_cell_angle_alpha   66.462
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.349
_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
  Y  Y0  1  0.250  0.371  0.222  1.0
  Y  Y1  1  0.750  0.629  0.778  1.0
  Be  Be2  1  0.250  0.780  0.454  1.0
  Be  Be3  1  0.750  0.220  0.546  1.0
  N  N4  1  0.250  0.217  0.850  1.0
  N  N5  1  0.750  0.783  0.150  1.0
  F  F6  1  0.461  0.754  0.586  1.0
  F  F7  1  0.539  0.246  0.414  1.0
  F  F8  1  0.961  0.246  0.414  1.0
  F  F9  1  0.039  0.754  0.586  1.0
  F  F10  1  0.250  0.598  0.372  1.0
  F  F11  1  0.750  0.402  0.628  1.0
  F  F12  1  0.546  0.644  0.050  1.0
  F  F13  1  0.454  0.356  0.950  1.0
  F  F14  1  0.046  0.356  0.950  1.0
  F  F15  1  0.954  0.644  0.050  1.0
  F  F16  1  0.250  0.013  0.281  1.0
  F  F17  1  0.750  0.987  0.719  1.0
[/CIF]
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The crystal structure described by BeYNF6 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. Y(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 Y(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Y(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Y(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 Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.929
_cell_length_b   6.608
_cell_length_c   7.470
_cell_angle_alpha   66.462
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.349
_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
  Y  Y0  1  0.250  0.371  0.222  1.0
  Y  Y1  1  0.750  0.629  0.778  1.0
  Be  Be2  1  0.250  0.780  0.454  1.0
  Be  Be3  1  0.750  0.220  0.546  1.0
  N  N4  1  0.250  0.217  0.850  1.0
  N  N5  1  0.750  0.783  0.150  1.0
  F  F6  1  0.461  0.754  0.586  1.0
  F  F7  1  0.539  0.246  0.414  1.0
  F  F8  1  0.961  0.246  0.414  1.0
  F  F9  1  0.039  0.754  0.586  1.0
  F  F10  1  0.250  0.598  0.372  1.0
  F  F11  1  0.750  0.402  0.628  1.0
  F  F12  1  0.546  0.644  0.050  1.0
  F  F13  1  0.454  0.356  0.950  1.0
  F  F14  1  0.046  0.356  0.950  1.0
  F  F15  1  0.954  0.644  0.050  1.0
  F  F16  1  0.250  0.013  0.281  1.0
  F  F17  1  0.750  0.987  0.719  1.0
[/CIF]
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