The material described by La5Cu4As4(O2Cl)2 is Matlockite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent As(2) and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. In the third La site, La(3) is bonded in a 16-coordinate geometry to eight equivalent Cu(1) and eight equivalent As(1) atoms. Cu(1) is bonded to two equivalent La(3), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing CuLa2As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to four equivalent La(3), four equivalent Cu(1), and one As(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Cu(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. Cl(1) is bonded in a 5-coordinate geometry to five equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Cu4As4(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.132
_cell_length_b   4.132
_cell_length_c   21.208
_cell_angle_alpha   95.590
_cell_angle_beta   95.590
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.598
_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  0.639  0.639  0.277  1.0
  La  La1  1  0.361  0.361  0.723  1.0
  La  La2  1  0.196  0.196  0.392  1.0
  La  La3  1  0.804  0.804  0.608  1.0
  La  La4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.065  0.565  0.129  1.0
  Cu  Cu6  1  0.565  0.065  0.129  1.0
  Cu  Cu7  1  0.935  0.435  0.871  1.0
  Cu  Cu8  1  0.435  0.935  0.871  1.0
  As  As9  1  0.530  0.530  0.061  1.0
  As  As10  1  0.470  0.470  0.939  1.0
  As  As11  1  0.096  0.096  0.192  1.0
  As  As12  1  0.904  0.904  0.808  1.0
  Cl  Cl13  1  0.728  0.728  0.457  1.0
  Cl  Cl14  1  0.272  0.272  0.543  1.0
  O  O15  1  0.667  0.167  0.334  1.0
  O  O16  1  0.167  0.667  0.334  1.0
  O  O17  1  0.333  0.833  0.666  1.0
  O  O18  1  0.833  0.333  0.666  1.0
[/CIF]
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The material described by La5Cu4As4(O2Cl)2 is Matlockite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent As(2) and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent Cl(1) atoms. In the third La site, La(3) is bonded in a 16-coordinate geometry to eight equivalent Cu(1) and eight equivalent As(1) atoms. Cu(1) is bonded to two equivalent La(3), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing CuLa2As4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to four equivalent La(3), four equivalent Cu(1), and one As(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Cu(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. Cl(1) is bonded in a 5-coordinate geometry to five equivalent La(2) atoms. is represented by the CIF file [CIF]
data_La5Cu4As4(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.132
_cell_length_b   4.132
_cell_length_c   21.208
_cell_angle_alpha   95.590
_cell_angle_beta   95.590
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.598
_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  0.639  0.639  0.277  1.0
  La  La1  1  0.361  0.361  0.723  1.0
  La  La2  1  0.196  0.196  0.392  1.0
  La  La3  1  0.804  0.804  0.608  1.0
  La  La4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.065  0.565  0.129  1.0
  Cu  Cu6  1  0.565  0.065  0.129  1.0
  Cu  Cu7  1  0.935  0.435  0.871  1.0
  Cu  Cu8  1  0.435  0.935  0.871  1.0
  As  As9  1  0.530  0.530  0.061  1.0
  As  As10  1  0.470  0.470  0.939  1.0
  As  As11  1  0.096  0.096  0.192  1.0
  As  As12  1  0.904  0.904  0.808  1.0
  Cl  Cl13  1  0.728  0.728  0.457  1.0
  Cl  Cl14  1  0.272  0.272  0.543  1.0
  O  O15  1  0.667  0.167  0.334  1.0
  O  O16  1  0.167  0.667  0.334  1.0
  O  O17  1  0.333  0.833  0.666  1.0
  O  O18  1  0.833  0.333  0.666  1.0
[/CIF]
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