The crystal structure described by NaTm(SO4)2 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. Tm(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(3) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Tm(1), and one S(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Tm(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Tm(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Tm(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Tm(1), and one S(2) atom. is represented by the CIF file [CIF]
data_NaTm(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   4.759
_cell_length_c   9.897
_cell_angle_alpha   82.782
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.116
_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
  Na  Na0  1  0.750  0.116  0.637  1.0
  Na  Na1  1  0.250  0.884  0.363  1.0
  Tm  Tm2  1  0.250  0.854  0.825  1.0
  Tm  Tm3  1  0.750  0.146  0.175  1.0
  S  S4  1  0.750  0.649  0.929  1.0
  S  S5  1  0.250  0.351  0.071  1.0
  S  S6  1  0.250  0.335  0.604  1.0
  S  S7  1  0.750  0.665  0.396  1.0
  O  O8  1  0.250  0.340  0.456  1.0
  O  O9  1  0.750  0.660  0.544  1.0
  O  O10  1  0.250  0.631  0.638  1.0
  O  O11  1  0.750  0.369  0.362  1.0
  O  O12  1  0.075  0.240  0.148  1.0
  O  O13  1  0.575  0.760  0.852  1.0
  O  O14  1  0.925  0.760  0.852  1.0
  O  O15  1  0.425  0.240  0.148  1.0
  O  O16  1  0.750  0.334  0.948  1.0
  O  O17  1  0.250  0.666  0.052  1.0
  O  O18  1  0.750  0.737  0.070  1.0
  O  O19  1  0.250  0.263  0.930  1.0
  O  O20  1  0.579  0.824  0.329  1.0
  O  O21  1  0.079  0.176  0.671  1.0
  O  O22  1  0.421  0.176  0.671  1.0
  O  O23  1  0.921  0.824  0.329  1.0
[/CIF]
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The crystal structure described by NaTm(SO4)2 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. Tm(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(3) atoms. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one S(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Tm(1), and one S(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Tm(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Tm(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Tm(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Tm(1), and one S(2) atom. is represented by the CIF file [CIF]
data_NaTm(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   4.759
_cell_length_c   9.897
_cell_angle_alpha   82.782
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.116
_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
  Na  Na0  1  0.750  0.116  0.637  1.0
  Na  Na1  1  0.250  0.884  0.363  1.0
  Tm  Tm2  1  0.250  0.854  0.825  1.0
  Tm  Tm3  1  0.750  0.146  0.175  1.0
  S  S4  1  0.750  0.649  0.929  1.0
  S  S5  1  0.250  0.351  0.071  1.0
  S  S6  1  0.250  0.335  0.604  1.0
  S  S7  1  0.750  0.665  0.396  1.0
  O  O8  1  0.250  0.340  0.456  1.0
  O  O9  1  0.750  0.660  0.544  1.0
  O  O10  1  0.250  0.631  0.638  1.0
  O  O11  1  0.750  0.369  0.362  1.0
  O  O12  1  0.075  0.240  0.148  1.0
  O  O13  1  0.575  0.760  0.852  1.0
  O  O14  1  0.925  0.760  0.852  1.0
  O  O15  1  0.425  0.240  0.148  1.0
  O  O16  1  0.750  0.334  0.948  1.0
  O  O17  1  0.250  0.666  0.052  1.0
  O  O18  1  0.750  0.737  0.070  1.0
  O  O19  1  0.250  0.263  0.930  1.0
  O  O20  1  0.579  0.824  0.329  1.0
  O  O21  1  0.079  0.176  0.671  1.0
  O  O22  1  0.421  0.176  0.671  1.0
  O  O23  1  0.921  0.824  0.329  1.0
[/CIF]
.