The material described by NaSmCu2F8 crystallizes in the tetragonal I422 space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Sm(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Sm(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_NaSmCu2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   6.521
_cell_angle_alpha   130.156
_cell_angle_beta   130.156
_cell_angle_gamma   73.157
_symmetry_Int_Tables_number   1
_cell_volume   158.150
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.437  0.292  0.482  1.0
  F  F5  1  0.809  0.954  0.518  1.0
  F  F6  1  0.292  0.809  0.855  1.0
  F  F7  1  0.191  0.708  0.145  1.0
  F  F8  1  0.954  0.437  0.145  1.0
  F  F9  1  0.563  0.046  0.855  1.0
  F  F10  1  0.046  0.191  0.482  1.0
  F  F11  1  0.708  0.563  0.518  1.0
[/CIF]
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The material described by NaSmCu2F8 crystallizes in the tetragonal I422 space group. Na(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Sm(1) is bonded in a 8-coordinate geometry to eight equivalent F(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Sm(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_NaSmCu2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   6.521
_cell_angle_alpha   130.156
_cell_angle_beta   130.156
_cell_angle_gamma   73.157
_symmetry_Int_Tables_number   1
_cell_volume   158.150
_cell_formula_units_Z   1
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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.437  0.292  0.482  1.0
  F  F5  1  0.809  0.954  0.518  1.0
  F  F6  1  0.292  0.809  0.855  1.0
  F  F7  1  0.191  0.708  0.145  1.0
  F  F8  1  0.954  0.437  0.145  1.0
  F  F9  1  0.563  0.046  0.855  1.0
  F  F10  1  0.046  0.191  0.482  1.0
  F  F11  1  0.708  0.563  0.518  1.0
[/CIF]
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