The material structure described by BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Sm(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Sm(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Be(1) and one Sm(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Sm(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   6.848
_cell_length_c   8.223
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.391
_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
  Sm  Sm0  1  0.712  0.897  0.136  1.0
  Sm  Sm1  1  0.212  0.103  0.864  1.0
  Sm  Sm2  1  0.712  0.603  0.636  1.0
  Sm  Sm3  1  0.212  0.397  0.364  1.0
  Be  Be4  1  0.788  0.371  0.048  1.0
  Be  Be5  1  0.288  0.629  0.952  1.0
  Be  Be6  1  0.788  0.129  0.548  1.0
  Be  Be7  1  0.288  0.871  0.452  1.0
  F  F8  1  0.806  0.088  0.363  1.0
  F  F9  1  0.306  0.912  0.637  1.0
  F  F10  1  0.806  0.412  0.863  1.0
  F  F11  1  0.306  0.588  0.137  1.0
  F  F12  1  0.792  0.940  0.651  1.0
  F  F13  1  0.292  0.060  0.349  1.0
  F  F14  1  0.792  0.560  0.151  1.0
  F  F15  1  0.292  0.440  0.849  1.0
  F  F16  1  0.072  0.728  0.419  1.0
  F  F17  1  0.572  0.272  0.581  1.0
  F  F18  1  0.072  0.772  0.919  1.0
  F  F19  1  0.572  0.228  0.081  1.0
  F  F20  1  0.029  0.244  0.603  1.0
  F  F21  1  0.529  0.756  0.397  1.0
  F  F22  1  0.029  0.256  0.103  1.0
  F  F23  1  0.529  0.744  0.897  1.0
[/CIF]
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The material structure described by BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. Sm(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Be(1) and one Sm(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Be(1) and one Sm(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Sm(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   6.848
_cell_length_c   8.223
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.391
_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
  Sm  Sm0  1  0.712  0.897  0.136  1.0
  Sm  Sm1  1  0.212  0.103  0.864  1.0
  Sm  Sm2  1  0.712  0.603  0.636  1.0
  Sm  Sm3  1  0.212  0.397  0.364  1.0
  Be  Be4  1  0.788  0.371  0.048  1.0
  Be  Be5  1  0.288  0.629  0.952  1.0
  Be  Be6  1  0.788  0.129  0.548  1.0
  Be  Be7  1  0.288  0.871  0.452  1.0
  F  F8  1  0.806  0.088  0.363  1.0
  F  F9  1  0.306  0.912  0.637  1.0
  F  F10  1  0.806  0.412  0.863  1.0
  F  F11  1  0.306  0.588  0.137  1.0
  F  F12  1  0.792  0.940  0.651  1.0
  F  F13  1  0.292  0.060  0.349  1.0
  F  F14  1  0.792  0.560  0.151  1.0
  F  F15  1  0.292  0.440  0.849  1.0
  F  F16  1  0.072  0.728  0.419  1.0
  F  F17  1  0.572  0.272  0.581  1.0
  F  F18  1  0.072  0.772  0.919  1.0
  F  F19  1  0.572  0.228  0.081  1.0
  F  F20  1  0.029  0.244  0.603  1.0
  F  F21  1  0.529  0.756  0.397  1.0
  F  F22  1  0.029  0.256  0.103  1.0
  F  F23  1  0.529  0.744  0.897  1.0
[/CIF]
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