The material structure described by FeBr4SeBr3 is Indium-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two tetrabromoiron molecules and two SeBr3 clusters. In each SeBr3 cluster, Se(1) is bonded in a 3-coordinate geometry to one Br(2), one Br(3), and one Br(6) atom. There are three inequivalent Br sites. In the first Br site, Br(6) is bonded in a single-bond geometry to one Se(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Se(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF card [CIF]
data_FeSeBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.733
_cell_length_c   14.705
_cell_angle_alpha   77.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.994
_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
  Fe  Fe0  1  0.503  0.446  0.141  1.0
  Fe  Fe1  1  0.497  0.446  0.641  1.0
  Se  Se2  1  0.915  0.155  0.302  1.0
  Se  Se3  1  0.085  0.155  0.802  1.0
  Br  Br4  1  0.149  0.470  0.136  1.0
  Br  Br5  1  0.879  0.276  0.907  1.0
  Br  Br6  1  0.314  0.957  0.907  1.0
  Br  Br7  1  0.686  0.957  0.407  1.0
  Br  Br8  1  0.382  0.116  0.641  1.0
  Br  Br9  1  0.375  0.524  0.780  1.0
  Br  Br10  1  0.618  0.116  0.141  1.0
  Br  Br11  1  0.885  0.893  0.767  1.0
  Br  Br12  1  0.643  0.667  0.012  1.0
  Br  Br13  1  0.625  0.524  0.280  1.0
  Br  Br14  1  0.357  0.667  0.512  1.0
  Br  Br15  1  0.115  0.893  0.267  1.0
  Br  Br16  1  0.121  0.276  0.407  1.0
  Br  Br17  1  0.851  0.470  0.636  1.0
[/CIF]
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The material structure described by FeBr4SeBr3 is Indium-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two tetrabromoiron molecules and two SeBr3 clusters. In each SeBr3 cluster, Se(1) is bonded in a 3-coordinate geometry to one Br(2), one Br(3), and one Br(6) atom. There are three inequivalent Br sites. In the first Br site, Br(6) is bonded in a single-bond geometry to one Se(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Se(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF card [CIF]
data_FeSeBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   6.733
_cell_length_c   14.705
_cell_angle_alpha   77.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.994
_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
  Fe  Fe0  1  0.503  0.446  0.141  1.0
  Fe  Fe1  1  0.497  0.446  0.641  1.0
  Se  Se2  1  0.915  0.155  0.302  1.0
  Se  Se3  1  0.085  0.155  0.802  1.0
  Br  Br4  1  0.149  0.470  0.136  1.0
  Br  Br5  1  0.879  0.276  0.907  1.0
  Br  Br6  1  0.314  0.957  0.907  1.0
  Br  Br7  1  0.686  0.957  0.407  1.0
  Br  Br8  1  0.382  0.116  0.641  1.0
  Br  Br9  1  0.375  0.524  0.780  1.0
  Br  Br10  1  0.618  0.116  0.141  1.0
  Br  Br11  1  0.885  0.893  0.767  1.0
  Br  Br12  1  0.643  0.667  0.012  1.0
  Br  Br13  1  0.625  0.524  0.280  1.0
  Br  Br14  1  0.357  0.667  0.512  1.0
  Br  Br15  1  0.115  0.893  0.267  1.0
  Br  Br16  1  0.121  0.276  0.407  1.0
  Br  Br17  1  0.851  0.470  0.636  1.0
[/CIF]
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