The material described by Tb2CuH4(SO6)2 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Tb(1) and one S(1) atom. In the second O site, O(6) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Tb(1), one Cu(1), and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tb(1), one Cu(1), and one H(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Tb(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Tb2CuH4(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.786
_cell_length_b   6.362
_cell_length_c   10.833
_cell_angle_alpha   82.086
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.259
_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
  Tb  Tb0  1  0.507  0.921  0.319  1.0
  Tb  Tb1  1  0.007  0.079  0.181  1.0
  Tb  Tb2  1  0.493  0.079  0.681  1.0
  Tb  Tb3  1  0.993  0.921  0.819  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  H  H6  1  0.717  0.237  0.882  1.0
  H  H7  1  0.217  0.763  0.618  1.0
  H  H8  1  0.283  0.763  0.118  1.0
  H  H9  1  0.783  0.237  0.382  1.0
  H  H10  1  0.623  0.271  0.118  1.0
  H  H11  1  0.123  0.729  0.382  1.0
  H  H12  1  0.377  0.729  0.882  1.0
  H  H13  1  0.877  0.271  0.618  1.0
  S  S14  1  0.330  0.360  0.371  1.0
  S  S15  1  0.830  0.640  0.129  1.0
  S  S16  1  0.670  0.640  0.629  1.0
  S  S17  1  0.170  0.360  0.871  1.0
  O  O18  1  0.684  0.095  0.864  1.0
  O  O19  1  0.184  0.905  0.636  1.0
  O  O20  1  0.316  0.905  0.136  1.0
  O  O21  1  0.816  0.095  0.364  1.0
  O  O22  1  0.660  0.119  0.129  1.0
  O  O23  1  0.160  0.881  0.371  1.0
  O  O24  1  0.340  0.881  0.871  1.0
  O  O25  1  0.840  0.119  0.629  1.0
  O  O26  1  0.308  0.250  0.256  1.0
  O  O27  1  0.808  0.750  0.244  1.0
  O  O28  1  0.692  0.750  0.744  1.0
  O  O29  1  0.192  0.250  0.756  1.0
  O  O30  1  0.448  0.198  0.458  1.0
  O  O31  1  0.948  0.802  0.042  1.0
  O  O32  1  0.552  0.802  0.542  1.0
  O  O33  1  0.052  0.198  0.958  1.0
  O  O34  1  0.452  0.552  0.339  1.0
  O  O35  1  0.952  0.448  0.161  1.0
  O  O36  1  0.548  0.448  0.661  1.0
  O  O37  1  0.048  0.552  0.839  1.0
  O  O38  1  0.142  0.404  0.426  1.0
  O  O39  1  0.642  0.596  0.074  1.0
  O  O40  1  0.858  0.596  0.574  1.0
  O  O41  1  0.358  0.404  0.926  1.0
[/CIF]
.
The material described by Tb2CuH4(SO6)2 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Tb(1) and one S(1) atom. In the second O site, O(6) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Tb(1), one Cu(1), and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tb(1), one Cu(1), and one H(2) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Tb(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Tb2CuH4(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.786
_cell_length_b   6.362
_cell_length_c   10.833
_cell_angle_alpha   82.086
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.259
_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
  Tb  Tb0  1  0.507  0.921  0.319  1.0
  Tb  Tb1  1  0.007  0.079  0.181  1.0
  Tb  Tb2  1  0.493  0.079  0.681  1.0
  Tb  Tb3  1  0.993  0.921  0.819  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  H  H6  1  0.717  0.237  0.882  1.0
  H  H7  1  0.217  0.763  0.618  1.0
  H  H8  1  0.283  0.763  0.118  1.0
  H  H9  1  0.783  0.237  0.382  1.0
  H  H10  1  0.623  0.271  0.118  1.0
  H  H11  1  0.123  0.729  0.382  1.0
  H  H12  1  0.377  0.729  0.882  1.0
  H  H13  1  0.877  0.271  0.618  1.0
  S  S14  1  0.330  0.360  0.371  1.0
  S  S15  1  0.830  0.640  0.129  1.0
  S  S16  1  0.670  0.640  0.629  1.0
  S  S17  1  0.170  0.360  0.871  1.0
  O  O18  1  0.684  0.095  0.864  1.0
  O  O19  1  0.184  0.905  0.636  1.0
  O  O20  1  0.316  0.905  0.136  1.0
  O  O21  1  0.816  0.095  0.364  1.0
  O  O22  1  0.660  0.119  0.129  1.0
  O  O23  1  0.160  0.881  0.371  1.0
  O  O24  1  0.340  0.881  0.871  1.0
  O  O25  1  0.840  0.119  0.629  1.0
  O  O26  1  0.308  0.250  0.256  1.0
  O  O27  1  0.808  0.750  0.244  1.0
  O  O28  1  0.692  0.750  0.744  1.0
  O  O29  1  0.192  0.250  0.756  1.0
  O  O30  1  0.448  0.198  0.458  1.0
  O  O31  1  0.948  0.802  0.042  1.0
  O  O32  1  0.552  0.802  0.542  1.0
  O  O33  1  0.052  0.198  0.958  1.0
  O  O34  1  0.452  0.552  0.339  1.0
  O  O35  1  0.952  0.448  0.161  1.0
  O  O36  1  0.548  0.448  0.661  1.0
  O  O37  1  0.048  0.552  0.839  1.0
  O  O38  1  0.142  0.404  0.426  1.0
  O  O39  1  0.642  0.596  0.074  1.0
  O  O40  1  0.858  0.596  0.574  1.0
  O  O41  1  0.358  0.404  0.926  1.0
[/CIF]
.