The material described by TmCu(WO4)2 crystallizes in the monoclinic P2/c space group. Tm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TmO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Tm(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Tm(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tm(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Tm(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_TmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.080
_cell_length_c   10.959
_cell_angle_alpha   65.102
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.224
_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
  Tm  Tm0  1  0.334  0.000  0.250  1.0
  Tm  Tm1  1  0.666  0.000  0.750  1.0
  Cu  Cu2  1  0.713  0.500  0.250  1.0
  Cu  Cu3  1  0.287  0.500  0.750  1.0
  W  W4  1  0.170  0.762  0.989  1.0
  W  W5  1  0.830  0.238  0.011  1.0
  W  W6  1  0.170  0.238  0.511  1.0
  W  W7  1  0.830  0.762  0.489  1.0
  O  O8  1  0.364  0.732  0.864  1.0
  O  O9  1  0.364  0.268  0.636  1.0
  O  O10  1  0.636  0.268  0.136  1.0
  O  O11  1  0.636  0.732  0.364  1.0
  O  O12  1  0.909  0.162  0.389  1.0
  O  O13  1  0.909  0.838  0.111  1.0
  O  O14  1  0.091  0.838  0.611  1.0
  O  O15  1  0.091  0.162  0.889  1.0
  O  O16  1  0.635  0.217  0.886  1.0
  O  O17  1  0.635  0.783  0.614  1.0
  O  O18  1  0.365  0.783  0.114  1.0
  O  O19  1  0.365  0.217  0.386  1.0
  O  O20  1  0.886  0.662  0.902  1.0
  O  O21  1  0.114  0.338  0.098  1.0
  O  O22  1  0.886  0.338  0.598  1.0
  O  O23  1  0.114  0.662  0.402  1.0
[/CIF]
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The material described by TmCu(WO4)2 crystallizes in the monoclinic P2/c space group. Tm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TmO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Tm(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Tm(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tm(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Tm(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_TmCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.080
_cell_length_c   10.959
_cell_angle_alpha   65.102
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.224
_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
  Tm  Tm0  1  0.334  0.000  0.250  1.0
  Tm  Tm1  1  0.666  0.000  0.750  1.0
  Cu  Cu2  1  0.713  0.500  0.250  1.0
  Cu  Cu3  1  0.287  0.500  0.750  1.0
  W  W4  1  0.170  0.762  0.989  1.0
  W  W5  1  0.830  0.238  0.011  1.0
  W  W6  1  0.170  0.238  0.511  1.0
  W  W7  1  0.830  0.762  0.489  1.0
  O  O8  1  0.364  0.732  0.864  1.0
  O  O9  1  0.364  0.268  0.636  1.0
  O  O10  1  0.636  0.268  0.136  1.0
  O  O11  1  0.636  0.732  0.364  1.0
  O  O12  1  0.909  0.162  0.389  1.0
  O  O13  1  0.909  0.838  0.111  1.0
  O  O14  1  0.091  0.838  0.611  1.0
  O  O15  1  0.091  0.162  0.889  1.0
  O  O16  1  0.635  0.217  0.886  1.0
  O  O17  1  0.635  0.783  0.614  1.0
  O  O18  1  0.365  0.783  0.114  1.0
  O  O19  1  0.365  0.217  0.386  1.0
  O  O20  1  0.886  0.662  0.902  1.0
  O  O21  1  0.114  0.338  0.098  1.0
  O  O22  1  0.886  0.338  0.598  1.0
  O  O23  1  0.114  0.662  0.402  1.0
[/CIF]
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