The compound described by GdLa3(OBr)4 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. Gd(1) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(1), and four equivalent Br(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent O(2), one Br(2), and four equivalent Br(4) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent O(2), one Br(3), and four equivalent Br(1) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(4), and four equivalent Br(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent La(3) atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one Gd(1) and four equivalent La(2) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(3) atoms. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one La(2) atom. In the fourth Br site, Br(4) is bonded in a 5-coordinate geometry to one La(3) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3Gd(BrO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   4.108
_cell_length_c   15.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.909
_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  0.500  0.500  0.579  1.0
  La  La1  1  0.000  0.000  0.420  1.0
  La  La2  1  0.000  0.000  0.923  1.0
  Gd  Gd3  1  0.500  0.500  0.074  1.0
  Br  Br4  1  0.500  0.500  0.319  1.0
  Br  Br5  1  0.500  0.500  0.822  1.0
  Br  Br6  1  0.000  0.000  0.177  1.0
  Br  Br7  1  0.000  0.000  0.681  1.0
  O  O8  1  0.500  0.000  0.003  1.0
  O  O9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.000  0.500  0.003  1.0
  O  O11  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by GdLa3(OBr)4 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. Gd(1) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(1), and four equivalent Br(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent O(2), one Br(2), and four equivalent Br(4) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent O(2), one Br(3), and four equivalent Br(1) atoms. In the third La site, La(3) is bonded in a 4-coordinate geometry to four equivalent O(1), one Br(4), and four equivalent Br(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent La(3) atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one Gd(1) and four equivalent La(2) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(3) atoms. In the third Br site, Br(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one La(2) atom. In the fourth Br site, Br(4) is bonded in a 5-coordinate geometry to one La(3) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3Gd(BrO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.108
_cell_length_b   4.108
_cell_length_c   15.343
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   258.909
_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  0.500  0.500  0.579  1.0
  La  La1  1  0.000  0.000  0.420  1.0
  La  La2  1  0.000  0.000  0.923  1.0
  Gd  Gd3  1  0.500  0.500  0.074  1.0
  Br  Br4  1  0.500  0.500  0.319  1.0
  Br  Br5  1  0.500  0.500  0.822  1.0
  Br  Br6  1  0.000  0.000  0.177  1.0
  Br  Br7  1  0.000  0.000  0.681  1.0
  O  O8  1  0.500  0.000  0.003  1.0
  O  O9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.000  0.500  0.003  1.0
  O  O11  1  0.000  0.500  0.500  1.0
[/CIF]
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