The material structure described by BeLuNF6 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. Lu(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 linear geometry to one Be(1) and one Lu(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Lu(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one N(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Be(1) and one Lu(1) atom. is represented by the CIF card [CIF]
data_LuBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   6.497
_cell_length_c   7.222
_cell_angle_alpha   69.489
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.962
_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
  Lu  Lu0  1  0.250  0.345  0.236  1.0
  Lu  Lu1  1  0.750  0.655  0.764  1.0
  Be  Be2  1  0.250  0.770  0.458  1.0
  Be  Be3  1  0.750  0.230  0.542  1.0
  N  N4  1  0.250  0.261  0.853  1.0
  N  N5  1  0.750  0.739  0.147  1.0
  F  F6  1  0.460  0.748  0.594  1.0
  F  F7  1  0.540  0.252  0.406  1.0
  F  F8  1  0.960  0.252  0.406  1.0
  F  F9  1  0.040  0.748  0.594  1.0
  F  F10  1  0.250  0.594  0.361  1.0
  F  F11  1  0.750  0.406  0.639  1.0
  F  F12  1  0.556  0.652  0.047  1.0
  F  F13  1  0.444  0.348  0.953  1.0
  F  F14  1  0.056  0.348  0.953  1.0
  F  F15  1  0.944  0.652  0.047  1.0
  F  F16  1  0.250  0.002  0.294  1.0
  F  F17  1  0.750  0.998  0.706  1.0
[/CIF]
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The material structure described by BeLuNF6 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. Lu(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 linear geometry to one Be(1) and one Lu(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Be(1) and one Lu(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one N(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Be(1) and one Lu(1) atom. is represented by the CIF card [CIF]
data_LuBeNF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   6.497
_cell_length_c   7.222
_cell_angle_alpha   69.489
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.962
_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
  Lu  Lu0  1  0.250  0.345  0.236  1.0
  Lu  Lu1  1  0.750  0.655  0.764  1.0
  Be  Be2  1  0.250  0.770  0.458  1.0
  Be  Be3  1  0.750  0.230  0.542  1.0
  N  N4  1  0.250  0.261  0.853  1.0
  N  N5  1  0.750  0.739  0.147  1.0
  F  F6  1  0.460  0.748  0.594  1.0
  F  F7  1  0.540  0.252  0.406  1.0
  F  F8  1  0.960  0.252  0.406  1.0
  F  F9  1  0.040  0.748  0.594  1.0
  F  F10  1  0.250  0.594  0.361  1.0
  F  F11  1  0.750  0.406  0.639  1.0
  F  F12  1  0.556  0.652  0.047  1.0
  F  F13  1  0.444  0.348  0.953  1.0
  F  F14  1  0.056  0.348  0.953  1.0
  F  F15  1  0.944  0.652  0.047  1.0
  F  F16  1  0.250  0.002  0.294  1.0
  F  F17  1  0.750  0.998  0.706  1.0
[/CIF]
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