The compound described by La2O2BrCl is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent O(1), four equivalent Br(1), and one Cl(1) atom. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(1), and four equivalent Cl(1) atoms. O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. Br(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent La(1) atoms. Cl(1) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La2BrClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.143
_cell_length_b   4.143
_cell_length_c   7.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.399
_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
  La  La0  1  0.000  0.000  0.162  1.0
  La  La1  1  0.500  0.500  0.830  1.0
  Br  Br2  1  0.500  0.500  0.371  1.0
  Cl  Cl3  1  0.000  0.000  0.641  1.0
  O  O4  1  0.500  0.000  0.998  1.0
  O  O5  1  0.000  0.500  0.998  1.0
[/CIF]
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The compound described by La2O2BrCl is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent O(1), four equivalent Br(1), and one Cl(1) atom. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(1), and four equivalent Cl(1) atoms. O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. Br(1) is bonded in a 5-coordinate geometry to one La(2) and four equivalent La(1) atoms. Cl(1) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La2BrClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.143
_cell_length_b   4.143
_cell_length_c   7.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.399
_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
  La  La0  1  0.000  0.000  0.162  1.0
  La  La1  1  0.500  0.500  0.830  1.0
  Br  Br2  1  0.500  0.500  0.371  1.0
  Cl  Cl3  1  0.000  0.000  0.641  1.0
  O  O4  1  0.500  0.000  0.998  1.0
  O  O5  1  0.000  0.500  0.998  1.0
[/CIF]
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