The compound described by Cs2MgTm2(WO4)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(13), one O(14), one O(15), one O(16), one O(2), one O(4), one O(5), and one O(7) atom. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a distorted see-saw-like geometry to one Cs(1), one O(1), one O(10), one O(12), and one O(3) atom. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(6), one O(7), one O(8), and one O(9) atom. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(2), one Mg(1), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cs(2), one Mg(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), and one W(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Tm(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded to one Cs(2), one Tm(1), one W(3), and one W(4) atom to form distorted edge-sharing OCsTmW2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Mg(1), one Tm(2), one W(3), and one W(4) atom to form distorted edge-sharing OTmMgW2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Cs(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Tm2Mg(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   7.676
_cell_length_c   7.632
_cell_angle_alpha   62.957
_cell_angle_beta   61.260
_cell_angle_gamma   87.638
_symmetry_Int_Tables_number   1
_cell_volume   358.710
_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
  Cs  Cs0  1  0.892  0.126  0.754  1.0
  Cs  Cs1  1  0.189  0.794  0.250  1.0
  Tm  Tm2  1  0.206  0.761  0.755  1.0
  Tm  Tm3  1  0.790  0.238  0.238  1.0
  Mg  Mg4  1  0.627  0.362  0.743  1.0
  W  W5  1  0.296  0.312  0.695  1.0
  W  W6  1  0.693  0.700  0.299  1.0
  W  W7  1  0.679  0.713  0.805  1.0
  W  W8  1  0.304  0.303  0.201  1.0
  O  O9  1  0.358  0.236  0.951  1.0
  O  O10  1  0.612  0.741  0.066  1.0
  O  O11  1  0.751  0.640  0.556  1.0
  O  O12  1  0.274  0.386  0.412  1.0
  O  O13  1  0.678  0.966  0.614  1.0
  O  O14  1  0.301  0.046  0.394  1.0
  O  O15  1  0.055  0.365  0.876  1.0
  O  O16  1  0.934  0.673  0.105  1.0
  O  O17  1  0.403  0.623  0.546  1.0
  O  O18  1  0.609  0.367  0.479  1.0
  O  O19  1  0.384  0.607  0.941  1.0
  O  O20  1  0.617  0.387  0.014  1.0
  O  O21  1  0.252  0.043  0.771  1.0
  O  O22  1  0.727  0.976  0.224  1.0
  O  O23  1  0.938  0.744  0.724  1.0
  O  O24  1  0.048  0.277  0.274  1.0
[/CIF]
.
The compound described by Cs2MgTm2(WO4)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(13), one O(14), one O(15), one O(16), one O(2), one O(4), one O(5), and one O(7) atom. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a distorted see-saw-like geometry to one Cs(1), one O(1), one O(10), one O(12), and one O(3) atom. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(6), one O(7), one O(8), and one O(9) atom. In the second Tm site, Tm(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(2), one Mg(1), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Cs(2), one Mg(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), and one W(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Tm(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded to one Cs(2), one Tm(1), one W(3), and one W(4) atom to form distorted edge-sharing OCsTmW2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Mg(1), one Tm(2), one W(3), and one W(4) atom to form distorted edge-sharing OTmMgW2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Cs(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2Tm2Mg(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   7.676
_cell_length_c   7.632
_cell_angle_alpha   62.957
_cell_angle_beta   61.260
_cell_angle_gamma   87.638
_symmetry_Int_Tables_number   1
_cell_volume   358.710
_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
  Cs  Cs0  1  0.892  0.126  0.754  1.0
  Cs  Cs1  1  0.189  0.794  0.250  1.0
  Tm  Tm2  1  0.206  0.761  0.755  1.0
  Tm  Tm3  1  0.790  0.238  0.238  1.0
  Mg  Mg4  1  0.627  0.362  0.743  1.0
  W  W5  1  0.296  0.312  0.695  1.0
  W  W6  1  0.693  0.700  0.299  1.0
  W  W7  1  0.679  0.713  0.805  1.0
  W  W8  1  0.304  0.303  0.201  1.0
  O  O9  1  0.358  0.236  0.951  1.0
  O  O10  1  0.612  0.741  0.066  1.0
  O  O11  1  0.751  0.640  0.556  1.0
  O  O12  1  0.274  0.386  0.412  1.0
  O  O13  1  0.678  0.966  0.614  1.0
  O  O14  1  0.301  0.046  0.394  1.0
  O  O15  1  0.055  0.365  0.876  1.0
  O  O16  1  0.934  0.673  0.105  1.0
  O  O17  1  0.403  0.623  0.546  1.0
  O  O18  1  0.609  0.367  0.479  1.0
  O  O19  1  0.384  0.607  0.941  1.0
  O  O20  1  0.617  0.387  0.014  1.0
  O  O21  1  0.252  0.043  0.771  1.0
  O  O22  1  0.727  0.976  0.224  1.0
  O  O23  1  0.938  0.744  0.724  1.0
  O  O24  1  0.048  0.277  0.274  1.0
[/CIF]
.