The material structure described by GdLa3(OCl)4 is Matlockite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Gd(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(1), and four equivalent Cl(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(2), and four equivalent Cl(3) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent La(2) atoms to form OLa2Gd2 tetrahedra that share corners with two equivalent O(1)La2Gd2 tetrahedra, corners with two equivalent O(2)La4 tetrahedra, and edges with four equivalent O(3)La3Gd tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with two equivalent O(1)La2Gd2 tetrahedra, corners with two equivalent O(2)La4 tetrahedra, and edges with four equivalent O(3)La3Gd tetrahedra. In the third O site, O(3) is bonded to one Gd(1), one La(1), and two equivalent La(2) atoms to form OLa3Gd tetrahedra that share corners with four equivalent O(3)La3Gd tetrahedra, edges with two equivalent O(1)La2Gd2 tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Gd(1) and four equivalent La(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(2) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Gd(1), one La(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3Gd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.096
_cell_length_b   6.951
_cell_length_c   8.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.157
_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  0.178  0.500  1.0
  La  La1  1  0.500  0.826  0.752  1.0
  La  La2  1  0.500  0.826  0.248  1.0
  Gd  Gd3  1  0.000  0.162  0.000  1.0
  Cl  Cl4  1  0.000  0.628  0.000  1.0
  Cl  Cl5  1  0.000  0.632  0.500  1.0
  Cl  Cl6  1  0.500  0.368  0.753  1.0
  Cl  Cl7  1  0.500  0.368  0.247  1.0
  O  O8  1  0.500  0.006  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.000  0.003  0.755  1.0
  O  O11  1  0.000  0.003  0.245  1.0
[/CIF]
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The material structure described by GdLa3(OCl)4 is Matlockite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Gd(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), one Cl(1), and four equivalent Cl(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(2), and four equivalent Cl(3) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), two equivalent O(3), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent La(2) atoms to form OLa2Gd2 tetrahedra that share corners with two equivalent O(1)La2Gd2 tetrahedra, corners with two equivalent O(2)La4 tetrahedra, and edges with four equivalent O(3)La3Gd tetrahedra. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form OLa4 tetrahedra that share corners with two equivalent O(1)La2Gd2 tetrahedra, corners with two equivalent O(2)La4 tetrahedra, and edges with four equivalent O(3)La3Gd tetrahedra. In the third O site, O(3) is bonded to one Gd(1), one La(1), and two equivalent La(2) atoms to form OLa3Gd tetrahedra that share corners with four equivalent O(3)La3Gd tetrahedra, edges with two equivalent O(1)La2Gd2 tetrahedra, and edges with two equivalent O(2)La4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Gd(1) and four equivalent La(2) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one La(1) and four equivalent La(2) atoms. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to two equivalent Gd(1), one La(2), and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La3Gd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.096
_cell_length_b   6.951
_cell_length_c   8.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.157
_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  0.178  0.500  1.0
  La  La1  1  0.500  0.826  0.752  1.0
  La  La2  1  0.500  0.826  0.248  1.0
  Gd  Gd3  1  0.000  0.162  0.000  1.0
  Cl  Cl4  1  0.000  0.628  0.000  1.0
  Cl  Cl5  1  0.000  0.632  0.500  1.0
  Cl  Cl6  1  0.500  0.368  0.753  1.0
  Cl  Cl7  1  0.500  0.368  0.247  1.0
  O  O8  1  0.500  0.006  0.000  1.0
  O  O9  1  0.500  0.000  0.500  1.0
  O  O10  1  0.000  0.003  0.755  1.0
  O  O11  1  0.000  0.003  0.245  1.0
[/CIF]
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