The material structure described by BeYbF4 crystallizes in the triclinic P-1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(2), one F(5), one F(6), and one F(7) atom to form corner-sharing BeF4 tetrahedra. In the second Be site, Be(2) is bonded to one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing BeF4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one F(3), one F(7), one F(8), two equivalent F(1), and two equivalent F(4) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Be(2) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Be(1), one Be(2), and one Yb(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Be(1) and one Yb(1) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. is represented by the CIF card [CIF]
data_YbBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.672
_cell_length_b   8.088
_cell_length_c   5.316
_cell_angle_alpha   106.780
_cell_angle_beta   82.211
_cell_angle_gamma   92.802
_symmetry_Int_Tables_number   1
_cell_volume   312.889
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.866  0.904  0.735  1.0
  Yb  Yb1  1  0.415  0.880  0.717  1.0
  Yb  Yb2  1  0.134  0.096  0.265  1.0
  Yb  Yb3  1  0.585  0.120  0.283  1.0
  Be  Be4  1  0.801  0.485  0.317  1.0
  Be  Be5  1  0.199  0.515  0.683  1.0
  Be  Be6  1  0.855  0.356  0.752  1.0
  Be  Be7  1  0.145  0.645  0.248  1.0
  F  F8  1  0.047  0.816  0.337  1.0
  F  F9  1  0.259  0.635  0.481  1.0
  F  F10  1  0.657  0.008  0.579  1.0
  F  F11  1  0.870  0.100  0.127  1.0
  F  F12  1  0.010  0.487  0.245  1.0
  F  F13  1  0.990  0.513  0.755  1.0
  F  F14  1  0.737  0.391  0.034  1.0
  F  F15  1  0.953  0.184  0.663  1.0
  F  F16  1  0.272  0.340  0.536  1.0
  F  F17  1  0.130  0.900  0.873  1.0
  F  F18  1  0.263  0.609  0.966  1.0
  F  F19  1  0.614  0.866  0.979  1.0
  F  F20  1  0.728  0.660  0.464  1.0
  F  F21  1  0.343  0.992  0.421  1.0
  F  F22  1  0.386  0.134  0.021  1.0
  F  F23  1  0.741  0.365  0.519  1.0
[/CIF]
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The material structure described by BeYbF4 crystallizes in the triclinic P-1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to one F(2), one F(5), one F(6), and one F(7) atom to form corner-sharing BeF4 tetrahedra. In the second Be site, Be(2) is bonded to one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing BeF4 tetrahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 7-coordinate geometry to one F(3), one F(7), one F(8), two equivalent F(1), and two equivalent F(4) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Be(2) and two equivalent Yb(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Be(1), one Be(2), and one Yb(2) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Yb(2) and two equivalent Yb(1) atoms. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(2) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Be(1) and one Yb(1) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Yb(1) and two equivalent Yb(2) atoms. is represented by the CIF card [CIF]
data_YbBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.672
_cell_length_b   8.088
_cell_length_c   5.316
_cell_angle_alpha   106.780
_cell_angle_beta   82.211
_cell_angle_gamma   92.802
_symmetry_Int_Tables_number   1
_cell_volume   312.889
_cell_formula_units_Z   4
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
  Yb  Yb0  1  0.866  0.904  0.735  1.0
  Yb  Yb1  1  0.415  0.880  0.717  1.0
  Yb  Yb2  1  0.134  0.096  0.265  1.0
  Yb  Yb3  1  0.585  0.120  0.283  1.0
  Be  Be4  1  0.801  0.485  0.317  1.0
  Be  Be5  1  0.199  0.515  0.683  1.0
  Be  Be6  1  0.855  0.356  0.752  1.0
  Be  Be7  1  0.145  0.645  0.248  1.0
  F  F8  1  0.047  0.816  0.337  1.0
  F  F9  1  0.259  0.635  0.481  1.0
  F  F10  1  0.657  0.008  0.579  1.0
  F  F11  1  0.870  0.100  0.127  1.0
  F  F12  1  0.010  0.487  0.245  1.0
  F  F13  1  0.990  0.513  0.755  1.0
  F  F14  1  0.737  0.391  0.034  1.0
  F  F15  1  0.953  0.184  0.663  1.0
  F  F16  1  0.272  0.340  0.536  1.0
  F  F17  1  0.130  0.900  0.873  1.0
  F  F18  1  0.263  0.609  0.966  1.0
  F  F19  1  0.614  0.866  0.979  1.0
  F  F20  1  0.728  0.660  0.464  1.0
  F  F21  1  0.343  0.992  0.421  1.0
  F  F22  1  0.386  0.134  0.021  1.0
  F  F23  1  0.741  0.365  0.519  1.0
[/CIF]
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