The material described by MgEr2Tl(WO4)4Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgEr2Tl(WO4)4 framework. In the MgEr2Tl(WO4)4 framework, Mg(1) is bonded in a 4-coordinate geometry to one Tl(2), one O(11), one O(2), one O(4), and one O(9) atom. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom. In the second Er site, Er(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom to form distorted ErO7 pentagonal bipyramids that share  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, and  an edgeedge with one W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. 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 WO6 octahedra that share corners with two equivalent W(4)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. 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 WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. 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 WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. 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 distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Er(2)O7 pentagonal bipyramid,  an edgeedge with one W(3)O6 octahedra, and  an edgeedge with one Er(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 37-45°. Tl(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(1), one O(13), one O(14), one O(15), one O(16), and one O(3) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1), one W(4), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(2), one W(3), and one Tl(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Er(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Er(2) and one W(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Er(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Er(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Er(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Er(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Er(1), one W(1), and one Tl(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Er(2), one W(2), and one Tl(2) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Er(1), one W(3), and one Tl(2) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Er(2), one W(4), and one Tl(2) atom. is represented by the CIF card [CIF]
data_Er2MgTl2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.913
_cell_length_c   7.518
_cell_angle_alpha   62.579
_cell_angle_beta   63.538
_cell_angle_gamma   88.851
_symmetry_Int_Tables_number   1
_cell_volume   345.585
_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
  Er  Er0  1  0.249  0.787  0.737  1.0
  Er  Er1  1  0.758  0.200  0.259  1.0
  Mg  Mg2  1  0.334  0.647  0.249  1.0
  Tl  Tl3  1  0.800  0.197  0.742  1.0
  Tl  Tl4  1  0.110  0.910  0.264  1.0
  W  W5  1  0.299  0.307  0.702  1.0
  W  W6  1  0.721  0.672  0.300  1.0
  W  W7  1  0.697  0.693  0.800  1.0
  W  W8  1  0.326  0.291  0.196  1.0
  O  O9  1  0.393  0.268  0.914  1.0
  O  O10  1  0.630  0.746  0.065  1.0
  O  O11  1  0.759  0.609  0.558  1.0
  O  O12  1  0.231  0.365  0.449  1.0
  O  O13  1  0.628  0.917  0.627  1.0
  O  O14  1  0.398  0.069  0.365  1.0
  O  O15  1  0.047  0.328  0.885  1.0
  O  O16  1  0.966  0.649  0.112  1.0
  O  O17  1  0.397  0.622  0.517  1.0
  O  O18  1  0.603  0.374  0.449  1.0
  O  O19  1  0.358  0.587  0.993  1.0
  O  O20  1  0.645  0.411  0.029  1.0
  O  O21  1  0.249  0.047  0.788  1.0
  O  O22  1  0.781  0.938  0.207  1.0
  O  O23  1  0.985  0.768  0.689  1.0
  O  O24  1  0.037  0.200  0.301  1.0
[/CIF]
.
The material described by MgEr2Tl(WO4)4Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgEr2Tl(WO4)4 framework. In the MgEr2Tl(WO4)4 framework, Mg(1) is bonded in a 4-coordinate geometry to one Tl(2), one O(11), one O(2), one O(4), and one O(9) atom. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom. In the second Er site, Er(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom to form distorted ErO7 pentagonal bipyramids that share  a cornercorner with one W(4)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, and  an edgeedge with one W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-59°. 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 WO6 octahedra that share corners with two equivalent W(4)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. 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 WO6 octahedra that share corners with two equivalent W(3)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. 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 WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent Er(2)O7 pentagonal bipyramids, and  an edgeedge with one W(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. 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 distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Er(2)O7 pentagonal bipyramid,  an edgeedge with one W(3)O6 octahedra, and  an edgeedge with one Er(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 37-45°. Tl(2) is bonded in a 7-coordinate geometry to one Mg(1), one O(1), one O(13), one O(14), one O(15), one O(16), and one O(3) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1), one W(4), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(2), one W(3), and one Tl(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Er(1), one Er(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Er(2) and one W(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Er(1) and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Er(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Er(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Er(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Er(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Er(1), one W(1), and one Tl(2) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Er(2), one W(2), and one Tl(2) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Er(1), one W(3), and one Tl(2) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Er(2), one W(4), and one Tl(2) atom. is represented by the CIF card [CIF]
data_Er2MgTl2(WO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.517
_cell_length_b   7.913
_cell_length_c   7.518
_cell_angle_alpha   62.579
_cell_angle_beta   63.538
_cell_angle_gamma   88.851
_symmetry_Int_Tables_number   1
_cell_volume   345.585
_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
  Er  Er0  1  0.249  0.787  0.737  1.0
  Er  Er1  1  0.758  0.200  0.259  1.0
  Mg  Mg2  1  0.334  0.647  0.249  1.0
  Tl  Tl3  1  0.800  0.197  0.742  1.0
  Tl  Tl4  1  0.110  0.910  0.264  1.0
  W  W5  1  0.299  0.307  0.702  1.0
  W  W6  1  0.721  0.672  0.300  1.0
  W  W7  1  0.697  0.693  0.800  1.0
  W  W8  1  0.326  0.291  0.196  1.0
  O  O9  1  0.393  0.268  0.914  1.0
  O  O10  1  0.630  0.746  0.065  1.0
  O  O11  1  0.759  0.609  0.558  1.0
  O  O12  1  0.231  0.365  0.449  1.0
  O  O13  1  0.628  0.917  0.627  1.0
  O  O14  1  0.398  0.069  0.365  1.0
  O  O15  1  0.047  0.328  0.885  1.0
  O  O16  1  0.966  0.649  0.112  1.0
  O  O17  1  0.397  0.622  0.517  1.0
  O  O18  1  0.603  0.374  0.449  1.0
  O  O19  1  0.358  0.587  0.993  1.0
  O  O20  1  0.645  0.411  0.029  1.0
  O  O21  1  0.249  0.047  0.788  1.0
  O  O22  1  0.781  0.938  0.207  1.0
  O  O23  1  0.985  0.768  0.689  1.0
  O  O24  1  0.037  0.200  0.301  1.0
[/CIF]
.