The material structure described by LaCu(WO4)2 crystallizes in the triclinic P-1 space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one La(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one W(2) atom. In the sixth O site, O(6) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one La(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.336
_cell_length_b   7.554
_cell_length_c   7.734
_cell_angle_alpha   114.506
_cell_angle_beta   115.553
_cell_angle_gamma   91.530
_symmetry_Int_Tables_number   1
_cell_volume   340.610
_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
  La  La0  1  0.185  0.285  0.462  1.0
  La  La1  1  0.815  0.715  0.538  1.0
  Cu  Cu2  1  0.778  0.324  0.044  1.0
  Cu  Cu3  1  0.222  0.676  0.956  1.0
  W  W4  1  0.728  0.704  0.962  1.0
  W  W5  1  0.355  0.900  0.713  1.0
  W  W6  1  0.272  0.296  0.038  1.0
  W  W7  1  0.645  0.100  0.287  1.0
  O  O8  1  0.537  0.469  0.733  1.0
  O  O9  1  0.463  0.531  0.267  1.0
  O  O10  1  0.052  0.309  0.095  1.0
  O  O11  1  0.948  0.691  0.905  1.0
  O  O12  1  0.202  0.368  0.820  1.0
  O  O13  1  0.798  0.632  0.180  1.0
  O  O14  1  0.824  0.354  0.447  1.0
  O  O15  1  0.176  0.646  0.553  1.0
  O  O16  1  0.613  0.832  0.745  1.0
  O  O17  1  0.387  0.168  0.255  1.0
  O  O18  1  0.476  0.826  0.003  1.0
  O  O19  1  0.524  0.174  0.997  1.0
  O  O20  1  0.146  0.996  0.804  1.0
  O  O21  1  0.854  0.004  0.196  1.0
  O  O22  1  0.297  0.995  0.524  1.0
  O  O23  1  0.703  0.005  0.476  1.0
[/CIF]
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The material structure described by LaCu(WO4)2 crystallizes in the triclinic P-1 space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one La(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one W(2) atom. In the sixth O site, O(6) is bonded to one W(1), two equivalent W(2), and one Cu(1) atom to form distorted edge-sharing OCuW3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one La(1) and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.336
_cell_length_b   7.554
_cell_length_c   7.734
_cell_angle_alpha   114.506
_cell_angle_beta   115.553
_cell_angle_gamma   91.530
_symmetry_Int_Tables_number   1
_cell_volume   340.610
_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
  La  La0  1  0.185  0.285  0.462  1.0
  La  La1  1  0.815  0.715  0.538  1.0
  Cu  Cu2  1  0.778  0.324  0.044  1.0
  Cu  Cu3  1  0.222  0.676  0.956  1.0
  W  W4  1  0.728  0.704  0.962  1.0
  W  W5  1  0.355  0.900  0.713  1.0
  W  W6  1  0.272  0.296  0.038  1.0
  W  W7  1  0.645  0.100  0.287  1.0
  O  O8  1  0.537  0.469  0.733  1.0
  O  O9  1  0.463  0.531  0.267  1.0
  O  O10  1  0.052  0.309  0.095  1.0
  O  O11  1  0.948  0.691  0.905  1.0
  O  O12  1  0.202  0.368  0.820  1.0
  O  O13  1  0.798  0.632  0.180  1.0
  O  O14  1  0.824  0.354  0.447  1.0
  O  O15  1  0.176  0.646  0.553  1.0
  O  O16  1  0.613  0.832  0.745  1.0
  O  O17  1  0.387  0.168  0.255  1.0
  O  O18  1  0.476  0.826  0.003  1.0
  O  O19  1  0.524  0.174  0.997  1.0
  O  O20  1  0.146  0.996  0.804  1.0
  O  O21  1  0.854  0.004  0.196  1.0
  O  O22  1  0.297  0.995  0.524  1.0
  O  O23  1  0.703  0.005  0.476  1.0
[/CIF]
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