The material described by Dy6Cl13 is Baddeleyite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing DyCl7 pentagonal bipyramids. In the second Dy site, Dy(2) is bonded in a 8-coordinate geometry to one Cl(7), two equivalent Cl(5), two equivalent Cl(6), and three equivalent Cl(4) atoms. In the third Dy site, Dy(3) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), two equivalent Cl(6), and two equivalent Cl(7) atoms. There are seven inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Dy(3) and two equivalent Dy(1) atoms. In the second Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy(2) atoms. In the third Cl site, Cl(5) is bonded to four equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fourth Cl site, Cl(6) is bonded to two equivalent Dy(2) and two equivalent Dy(3) atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fifth Cl site, Cl(7) is bonded in a trigonal planar geometry to one Dy(2) and two equivalent Dy(3) atoms. In the sixth Cl site, Cl(1) is bonded to two equivalent Dy(1) and two equivalent Dy(3) atoms to form a mixture of distorted corner and edge-sharing ClDy4 trigonal pyramids. In the seventh Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_Dy6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.259
_cell_length_b   20.259
_cell_length_c   6.804
_cell_angle_alpha   81.384
_cell_angle_beta   81.384
_cell_angle_gamma   19.278
_symmetry_Int_Tables_number   1
_cell_volume   911.309
_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
  Dy  Dy0  1  0.002  0.597  0.315  1.0
  Dy  Dy1  1  0.998  0.403  0.685  1.0
  Dy  Dy2  1  0.403  0.998  0.185  1.0
  Dy  Dy3  1  0.597  0.002  0.815  1.0
  Dy  Dy4  1  0.799  0.281  0.913  1.0
  Dy  Dy5  1  0.201  0.719  0.087  1.0
  Dy  Dy6  1  0.719  0.201  0.587  1.0
  Dy  Dy7  1  0.281  0.799  0.413  1.0
  Dy  Dy8  1  0.916  0.342  0.448  1.0
  Dy  Dy9  1  0.084  0.658  0.552  1.0
  Dy  Dy10  1  0.658  0.084  0.052  1.0
  Dy  Dy11  1  0.342  0.916  0.948  1.0
  Cl  Cl12  1  0.947  0.727  0.929  1.0
  Cl  Cl13  1  0.053  0.273  0.071  1.0
  Cl  Cl14  1  0.273  0.053  0.571  1.0
  Cl  Cl15  1  0.727  0.947  0.429  1.0
  Cl  Cl16  1  0.202  0.282  0.374  1.0
  Cl  Cl17  1  0.798  0.718  0.626  1.0
  Cl  Cl18  1  0.718  0.798  0.126  1.0
  Cl  Cl19  1  0.282  0.202  0.874  1.0
  Cl  Cl20  1  0.730  0.634  0.411  1.0
  Cl  Cl21  1  0.270  0.366  0.589  1.0
  Cl  Cl22  1  0.366  0.270  0.089  1.0
  Cl  Cl23  1  0.634  0.730  0.911  1.0
  Cl  Cl24  1  0.598  0.341  0.952  1.0
  Cl  Cl25  1  0.402  0.659  0.048  1.0
  Cl  Cl26  1  0.659  0.402  0.548  1.0
  Cl  Cl27  1  0.341  0.598  0.452  1.0
  Cl  Cl28  1  0.050  0.950  0.750  1.0
  Cl  Cl29  1  0.950  0.050  0.250  1.0
  Cl  Cl30  1  0.963  0.874  0.825  1.0
  Cl  Cl31  1  0.037  0.126  0.175  1.0
  Cl  Cl32  1  0.126  0.037  0.675  1.0
  Cl  Cl33  1  0.874  0.963  0.325  1.0
  Cl  Cl34  1  0.672  0.530  0.785  1.0
  Cl  Cl35  1  0.328  0.470  0.215  1.0
  Cl  Cl36  1  0.470  0.328  0.715  1.0
  Cl  Cl37  1  0.530  0.672  0.285  1.0
[/CIF]
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The material described by Dy6Cl13 is Baddeleyite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form a mixture of distorted corner and edge-sharing DyCl7 pentagonal bipyramids. In the second Dy site, Dy(2) is bonded in a 8-coordinate geometry to one Cl(7), two equivalent Cl(5), two equivalent Cl(6), and three equivalent Cl(4) atoms. In the third Dy site, Dy(3) is bonded in a 7-coordinate geometry to one Cl(3), two equivalent Cl(1), two equivalent Cl(6), and two equivalent Cl(7) atoms. There are seven inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Dy(3) and two equivalent Dy(1) atoms. In the second Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy(2) atoms. In the third Cl site, Cl(5) is bonded to four equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fourth Cl site, Cl(6) is bonded to two equivalent Dy(2) and two equivalent Dy(3) atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fifth Cl site, Cl(7) is bonded in a trigonal planar geometry to one Dy(2) and two equivalent Dy(3) atoms. In the sixth Cl site, Cl(1) is bonded to two equivalent Dy(1) and two equivalent Dy(3) atoms to form a mixture of distorted corner and edge-sharing ClDy4 trigonal pyramids. In the seventh Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy(1) atoms. is represented by the CIF file [CIF]
data_Dy6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.259
_cell_length_b   20.259
_cell_length_c   6.804
_cell_angle_alpha   81.384
_cell_angle_beta   81.384
_cell_angle_gamma   19.278
_symmetry_Int_Tables_number   1
_cell_volume   911.309
_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
  Dy  Dy0  1  0.002  0.597  0.315  1.0
  Dy  Dy1  1  0.998  0.403  0.685  1.0
  Dy  Dy2  1  0.403  0.998  0.185  1.0
  Dy  Dy3  1  0.597  0.002  0.815  1.0
  Dy  Dy4  1  0.799  0.281  0.913  1.0
  Dy  Dy5  1  0.201  0.719  0.087  1.0
  Dy  Dy6  1  0.719  0.201  0.587  1.0
  Dy  Dy7  1  0.281  0.799  0.413  1.0
  Dy  Dy8  1  0.916  0.342  0.448  1.0
  Dy  Dy9  1  0.084  0.658  0.552  1.0
  Dy  Dy10  1  0.658  0.084  0.052  1.0
  Dy  Dy11  1  0.342  0.916  0.948  1.0
  Cl  Cl12  1  0.947  0.727  0.929  1.0
  Cl  Cl13  1  0.053  0.273  0.071  1.0
  Cl  Cl14  1  0.273  0.053  0.571  1.0
  Cl  Cl15  1  0.727  0.947  0.429  1.0
  Cl  Cl16  1  0.202  0.282  0.374  1.0
  Cl  Cl17  1  0.798  0.718  0.626  1.0
  Cl  Cl18  1  0.718  0.798  0.126  1.0
  Cl  Cl19  1  0.282  0.202  0.874  1.0
  Cl  Cl20  1  0.730  0.634  0.411  1.0
  Cl  Cl21  1  0.270  0.366  0.589  1.0
  Cl  Cl22  1  0.366  0.270  0.089  1.0
  Cl  Cl23  1  0.634  0.730  0.911  1.0
  Cl  Cl24  1  0.598  0.341  0.952  1.0
  Cl  Cl25  1  0.402  0.659  0.048  1.0
  Cl  Cl26  1  0.659  0.402  0.548  1.0
  Cl  Cl27  1  0.341  0.598  0.452  1.0
  Cl  Cl28  1  0.050  0.950  0.750  1.0
  Cl  Cl29  1  0.950  0.050  0.250  1.0
  Cl  Cl30  1  0.963  0.874  0.825  1.0
  Cl  Cl31  1  0.037  0.126  0.175  1.0
  Cl  Cl32  1  0.126  0.037  0.675  1.0
  Cl  Cl33  1  0.874  0.963  0.325  1.0
  Cl  Cl34  1  0.672  0.530  0.785  1.0
  Cl  Cl35  1  0.328  0.470  0.215  1.0
  Cl  Cl36  1  0.470  0.328  0.715  1.0
  Cl  Cl37  1  0.530  0.672  0.285  1.0
[/CIF]
.