The material described by KTm(MoO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent Tm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Tm(1), and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Tm(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KTm(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.696
_cell_angle_alpha   61.727
_cell_angle_beta   61.727
_cell_angle_gamma   87.788
_symmetry_Int_Tables_number   1
_cell_volume   321.330
_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
  K  K0  1  0.200  0.800  0.750  1.0
  K  K1  1  0.800  0.200  0.250  1.0
  Tm  Tm2  1  0.771  0.229  0.750  1.0
  Tm  Tm3  1  0.229  0.771  0.250  1.0
  Mo  Mo4  1  0.697  0.698  0.762  1.0
  Mo  Mo5  1  0.303  0.302  0.238  1.0
  Mo  Mo6  1  0.302  0.303  0.738  1.0
  Mo  Mo7  1  0.698  0.697  0.262  1.0
  O  O8  1  0.612  0.771  0.559  1.0
  O  O9  1  0.388  0.229  0.441  1.0
  O  O10  1  0.229  0.388  0.941  1.0
  O  O11  1  0.771  0.612  0.059  1.0
  O  O12  1  0.381  0.064  0.880  1.0
  O  O13  1  0.619  0.936  0.120  1.0
  O  O14  1  0.936  0.619  0.620  1.0
  O  O15  1  0.064  0.381  0.380  1.0
  O  O16  1  0.588  0.367  0.967  1.0
  O  O17  1  0.412  0.633  0.033  1.0
  O  O18  1  0.633  0.412  0.533  1.0
  O  O19  1  0.367  0.588  0.467  1.0
  O  O20  1  0.793  0.957  0.692  1.0
  O  O21  1  0.207  0.043  0.308  1.0
  O  O22  1  0.043  0.207  0.808  1.0
  O  O23  1  0.957  0.793  0.192  1.0
[/CIF]
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The material described by KTm(MoO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent Tm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Tm(1), and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Tm(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KTm(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.446
_cell_length_b   7.446
_cell_length_c   7.696
_cell_angle_alpha   61.727
_cell_angle_beta   61.727
_cell_angle_gamma   87.788
_symmetry_Int_Tables_number   1
_cell_volume   321.330
_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
  K  K0  1  0.200  0.800  0.750  1.0
  K  K1  1  0.800  0.200  0.250  1.0
  Tm  Tm2  1  0.771  0.229  0.750  1.0
  Tm  Tm3  1  0.229  0.771  0.250  1.0
  Mo  Mo4  1  0.697  0.698  0.762  1.0
  Mo  Mo5  1  0.303  0.302  0.238  1.0
  Mo  Mo6  1  0.302  0.303  0.738  1.0
  Mo  Mo7  1  0.698  0.697  0.262  1.0
  O  O8  1  0.612  0.771  0.559  1.0
  O  O9  1  0.388  0.229  0.441  1.0
  O  O10  1  0.229  0.388  0.941  1.0
  O  O11  1  0.771  0.612  0.059  1.0
  O  O12  1  0.381  0.064  0.880  1.0
  O  O13  1  0.619  0.936  0.120  1.0
  O  O14  1  0.936  0.619  0.620  1.0
  O  O15  1  0.064  0.381  0.380  1.0
  O  O16  1  0.588  0.367  0.967  1.0
  O  O17  1  0.412  0.633  0.033  1.0
  O  O18  1  0.633  0.412  0.533  1.0
  O  O19  1  0.367  0.588  0.467  1.0
  O  O20  1  0.793  0.957  0.692  1.0
  O  O21  1  0.207  0.043  0.308  1.0
  O  O22  1  0.043  0.207  0.808  1.0
  O  O23  1  0.957  0.793  0.192  1.0
[/CIF]
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