The material described by SrLaBr5 crystallizes in the monoclinic P2_1/m space group. Sr(1) is bonded to one Br(1), one Br(4), two equivalent Br(5), and three equivalent Br(3) atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. La(1) is bonded in a 8-coordinate geometry to one Br(5), two equivalent Br(1), two equivalent Br(4), and three equivalent Br(2) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the third Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr(1) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent La(1) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and one La(1) atom. is represented by the CIF file [CIF]
data_SrLaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.412
_cell_length_b   7.964
_cell_length_c   13.966
_cell_angle_alpha   86.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.900
_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
  Sr  Sr0  1  0.750  0.543  0.647  1.0
  Sr  Sr1  1  0.250  0.457  0.353  1.0
  La  La2  1  0.250  0.950  0.840  1.0
  La  La3  1  0.750  0.050  0.160  1.0
  Br  Br4  1  0.750  0.953  0.685  1.0
  Br  Br5  1  0.250  0.851  0.065  1.0
  Br  Br6  1  0.250  0.697  0.522  1.0
  Br  Br7  1  0.750  0.674  0.878  1.0
  Br  Br8  1  0.750  0.683  0.261  1.0
  Br  Br9  1  0.250  0.317  0.739  1.0
  Br  Br10  1  0.250  0.326  0.122  1.0
  Br  Br11  1  0.750  0.303  0.478  1.0
  Br  Br12  1  0.750  0.149  0.935  1.0
  Br  Br13  1  0.250  0.047  0.315  1.0
[/CIF]
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The material described by SrLaBr5 crystallizes in the monoclinic P2_1/m space group. Sr(1) is bonded to one Br(1), one Br(4), two equivalent Br(5), and three equivalent Br(3) atoms to form distorted edge-sharing SrBr7 pentagonal bipyramids. La(1) is bonded in a 8-coordinate geometry to one Br(5), two equivalent Br(1), two equivalent Br(4), and three equivalent Br(2) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent La(1) atoms. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the third Br site, Br(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sr(1) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent La(1) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to two equivalent Sr(1) and one La(1) atom. is represented by the CIF file [CIF]
data_SrLaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.412
_cell_length_b   7.964
_cell_length_c   13.966
_cell_angle_alpha   86.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.900
_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
  Sr  Sr0  1  0.750  0.543  0.647  1.0
  Sr  Sr1  1  0.250  0.457  0.353  1.0
  La  La2  1  0.250  0.950  0.840  1.0
  La  La3  1  0.750  0.050  0.160  1.0
  Br  Br4  1  0.750  0.953  0.685  1.0
  Br  Br5  1  0.250  0.851  0.065  1.0
  Br  Br6  1  0.250  0.697  0.522  1.0
  Br  Br7  1  0.750  0.674  0.878  1.0
  Br  Br8  1  0.750  0.683  0.261  1.0
  Br  Br9  1  0.250  0.317  0.739  1.0
  Br  Br10  1  0.250  0.326  0.122  1.0
  Br  Br11  1  0.750  0.303  0.478  1.0
  Br  Br12  1  0.750  0.149  0.935  1.0
  Br  Br13  1  0.250  0.047  0.315  1.0
[/CIF]
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