The material described by MgTb2Mo2(O4Cl)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. Tb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and one Cl(1) atom. Mo(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Tb(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Tb(1), and one Mo(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Tb(1) atom. is represented by the CIF file [CIF]
data_Tb2MgMo2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.717
_cell_length_b   6.717
_cell_length_c   7.172
_cell_angle_alpha   76.600
_cell_angle_beta   76.600
_cell_angle_gamma   60.787
_symmetry_Int_Tables_number   1
_cell_volume   272.036
_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
  Tb  Tb0  1  0.269  0.291  0.874  1.0
  Tb  Tb1  1  0.709  0.731  0.126  1.0
  Mg  Mg2  1  0.760  0.240  0.000  1.0
  Mo  Mo3  1  0.332  0.379  0.290  1.0
  Mo  Mo4  1  0.621  0.668  0.710  1.0
  Cl  Cl5  1  0.070  0.056  0.200  1.0
  Cl  Cl6  1  0.944  0.930  0.800  1.0
  O  O7  1  0.304  0.306  0.549  1.0
  O  O8  1  0.478  0.902  0.863  1.0
  O  O9  1  0.694  0.696  0.451  1.0
  O  O10  1  0.507  0.449  0.805  1.0
  O  O11  1  0.098  0.522  0.137  1.0
  O  O12  1  0.879  0.476  0.856  1.0
  O  O13  1  0.524  0.121  0.144  1.0
  O  O14  1  0.551  0.493  0.195  1.0
[/CIF]
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The material described by MgTb2Mo2(O4Cl)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. Tb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and one Cl(1) atom. Mo(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Tb(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Tb(1), and one Mo(1) atom. Cl(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Tb(1) atom. is represented by the CIF file [CIF]
data_Tb2MgMo2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.717
_cell_length_b   6.717
_cell_length_c   7.172
_cell_angle_alpha   76.600
_cell_angle_beta   76.600
_cell_angle_gamma   60.787
_symmetry_Int_Tables_number   1
_cell_volume   272.036
_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
  Tb  Tb0  1  0.269  0.291  0.874  1.0
  Tb  Tb1  1  0.709  0.731  0.126  1.0
  Mg  Mg2  1  0.760  0.240  0.000  1.0
  Mo  Mo3  1  0.332  0.379  0.290  1.0
  Mo  Mo4  1  0.621  0.668  0.710  1.0
  Cl  Cl5  1  0.070  0.056  0.200  1.0
  Cl  Cl6  1  0.944  0.930  0.800  1.0
  O  O7  1  0.304  0.306  0.549  1.0
  O  O8  1  0.478  0.902  0.863  1.0
  O  O9  1  0.694  0.696  0.451  1.0
  O  O10  1  0.507  0.449  0.805  1.0
  O  O11  1  0.098  0.522  0.137  1.0
  O  O12  1  0.879  0.476  0.856  1.0
  O  O13  1  0.524  0.121  0.144  1.0
  O  O14  1  0.551  0.493  0.195  1.0
[/CIF]
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