The structure described by CsBeF3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent F(1) and six equivalent F(2) atoms. Be(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form corner-sharing BeF4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Be(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_CsBeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.844
_cell_length_b   6.004
_cell_length_c   12.518
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.071
_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
  Cs  Cs0  1  0.241  0.750  0.605  1.0
  Cs  Cs1  1  0.741  0.750  0.895  1.0
  Cs  Cs2  1  0.759  0.250  0.395  1.0
  Cs  Cs3  1  0.259  0.250  0.105  1.0
  Be  Be4  1  0.808  0.750  0.179  1.0
  Be  Be5  1  0.308  0.750  0.321  1.0
  Be  Be6  1  0.192  0.250  0.821  1.0
  Be  Be7  1  0.692  0.250  0.679  1.0
  F  F8  1  0.872  0.250  0.786  1.0
  F  F9  1  0.372  0.250  0.714  1.0
  F  F10  1  0.128  0.750  0.214  1.0
  F  F11  1  0.628  0.750  0.286  1.0
  F  F12  1  0.245  0.037  0.883  1.0
  F  F13  1  0.745  0.463  0.617  1.0
  F  F14  1  0.755  0.537  0.117  1.0
  F  F15  1  0.255  0.963  0.383  1.0
  F  F16  1  0.755  0.963  0.117  1.0
  F  F17  1  0.255  0.537  0.383  1.0
  F  F18  1  0.245  0.463  0.883  1.0
  F  F19  1  0.745  0.037  0.617  1.0
[/CIF]
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The structure described by CsBeF3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent F(1) and six equivalent F(2) atoms. Be(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form corner-sharing BeF4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Be(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the CIF card [CIF]
data_CsBeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.844
_cell_length_b   6.004
_cell_length_c   12.518
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.071
_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
  Cs  Cs0  1  0.241  0.750  0.605  1.0
  Cs  Cs1  1  0.741  0.750  0.895  1.0
  Cs  Cs2  1  0.759  0.250  0.395  1.0
  Cs  Cs3  1  0.259  0.250  0.105  1.0
  Be  Be4  1  0.808  0.750  0.179  1.0
  Be  Be5  1  0.308  0.750  0.321  1.0
  Be  Be6  1  0.192  0.250  0.821  1.0
  Be  Be7  1  0.692  0.250  0.679  1.0
  F  F8  1  0.872  0.250  0.786  1.0
  F  F9  1  0.372  0.250  0.714  1.0
  F  F10  1  0.128  0.750  0.214  1.0
  F  F11  1  0.628  0.750  0.286  1.0
  F  F12  1  0.245  0.037  0.883  1.0
  F  F13  1  0.745  0.463  0.617  1.0
  F  F14  1  0.755  0.537  0.117  1.0
  F  F15  1  0.255  0.963  0.383  1.0
  F  F16  1  0.755  0.963  0.117  1.0
  F  F17  1  0.255  0.537  0.383  1.0
  F  F18  1  0.245  0.463  0.883  1.0
  F  F19  1  0.745  0.037  0.617  1.0
[/CIF]
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