The material described by KTb2Cu(MoO4)4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms. Tb(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one Tb(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_KTb2Cu(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.906
_cell_length_b   6.906
_cell_length_c   19.743
_cell_angle_alpha   88.812
_cell_angle_beta   88.812
_cell_angle_gamma   134.720
_symmetry_Int_Tables_number   1
_cell_volume   668.105
_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  0.971  0.029  0.750  1.0
  K  K1  1  0.029  0.971  0.250  1.0
  Tb  Tb2  1  0.146  0.851  0.468  1.0
  Tb  Tb3  1  0.851  0.146  0.968  1.0
  Tb  Tb4  1  0.854  0.149  0.532  1.0
  Tb  Tb5  1  0.149  0.854  0.032  1.0
  Cu  Cu6  1  0.309  0.691  0.250  1.0
  Cu  Cu7  1  0.691  0.309  0.750  1.0
  Mo  Mo8  1  0.733  0.251  0.147  1.0
  Mo  Mo9  1  0.548  0.425  0.591  1.0
  Mo  Mo10  1  0.267  0.749  0.853  1.0
  Mo  Mo11  1  0.452  0.575  0.409  1.0
  Mo  Mo12  1  0.425  0.548  0.091  1.0
  Mo  Mo13  1  0.749  0.267  0.353  1.0
  Mo  Mo14  1  0.251  0.733  0.647  1.0
  Mo  Mo15  1  0.575  0.452  0.909  1.0
  O  O16  1  0.935  0.530  0.287  1.0
  O  O17  1  0.324  0.229  0.101  1.0
  O  O18  1  0.470  0.065  0.213  1.0
  O  O19  1  0.267  0.987  0.673  1.0
  O  O20  1  0.492  0.830  0.458  1.0
  O  O21  1  0.255  0.216  0.963  1.0
  O  O22  1  0.987  0.267  0.173  1.0
  O  O23  1  0.062  0.585  0.567  1.0
  O  O24  1  0.903  0.602  0.132  1.0
  O  O25  1  0.938  0.415  0.433  1.0
  O  O26  1  0.676  0.771  0.899  1.0
  O  O27  1  0.585  0.062  0.067  1.0
  O  O28  1  0.097  0.398  0.868  1.0
  O  O29  1  0.698  0.516  0.672  1.0
  O  O30  1  0.216  0.255  0.463  1.0
  O  O31  1  0.065  0.470  0.713  1.0
  O  O32  1  0.229  0.324  0.601  1.0
  O  O33  1  0.733  0.013  0.327  1.0
  O  O34  1  0.508  0.170  0.542  1.0
  O  O35  1  0.013  0.733  0.827  1.0
  O  O36  1  0.516  0.698  0.172  1.0
  O  O37  1  0.530  0.935  0.787  1.0
  O  O38  1  0.484  0.302  0.828  1.0
  O  O39  1  0.302  0.484  0.328  1.0
  O  O40  1  0.398  0.097  0.368  1.0
  O  O41  1  0.745  0.784  0.037  1.0
  O  O42  1  0.602  0.903  0.632  1.0
  O  O43  1  0.830  0.492  0.958  1.0
  O  O44  1  0.784  0.745  0.537  1.0
  O  O45  1  0.415  0.938  0.933  1.0
  O  O46  1  0.771  0.676  0.399  1.0
  O  O47  1  0.170  0.508  0.042  1.0
[/CIF]
.
The material described by KTb2Cu(MoO4)4 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms. Tb(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(6), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. Cu(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Tb(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one Tb(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one Mo(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_KTb2Cu(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.906
_cell_length_b   6.906
_cell_length_c   19.743
_cell_angle_alpha   88.812
_cell_angle_beta   88.812
_cell_angle_gamma   134.720
_symmetry_Int_Tables_number   1
_cell_volume   668.105
_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  0.971  0.029  0.750  1.0
  K  K1  1  0.029  0.971  0.250  1.0
  Tb  Tb2  1  0.146  0.851  0.468  1.0
  Tb  Tb3  1  0.851  0.146  0.968  1.0
  Tb  Tb4  1  0.854  0.149  0.532  1.0
  Tb  Tb5  1  0.149  0.854  0.032  1.0
  Cu  Cu6  1  0.309  0.691  0.250  1.0
  Cu  Cu7  1  0.691  0.309  0.750  1.0
  Mo  Mo8  1  0.733  0.251  0.147  1.0
  Mo  Mo9  1  0.548  0.425  0.591  1.0
  Mo  Mo10  1  0.267  0.749  0.853  1.0
  Mo  Mo11  1  0.452  0.575  0.409  1.0
  Mo  Mo12  1  0.425  0.548  0.091  1.0
  Mo  Mo13  1  0.749  0.267  0.353  1.0
  Mo  Mo14  1  0.251  0.733  0.647  1.0
  Mo  Mo15  1  0.575  0.452  0.909  1.0
  O  O16  1  0.935  0.530  0.287  1.0
  O  O17  1  0.324  0.229  0.101  1.0
  O  O18  1  0.470  0.065  0.213  1.0
  O  O19  1  0.267  0.987  0.673  1.0
  O  O20  1  0.492  0.830  0.458  1.0
  O  O21  1  0.255  0.216  0.963  1.0
  O  O22  1  0.987  0.267  0.173  1.0
  O  O23  1  0.062  0.585  0.567  1.0
  O  O24  1  0.903  0.602  0.132  1.0
  O  O25  1  0.938  0.415  0.433  1.0
  O  O26  1  0.676  0.771  0.899  1.0
  O  O27  1  0.585  0.062  0.067  1.0
  O  O28  1  0.097  0.398  0.868  1.0
  O  O29  1  0.698  0.516  0.672  1.0
  O  O30  1  0.216  0.255  0.463  1.0
  O  O31  1  0.065  0.470  0.713  1.0
  O  O32  1  0.229  0.324  0.601  1.0
  O  O33  1  0.733  0.013  0.327  1.0
  O  O34  1  0.508  0.170  0.542  1.0
  O  O35  1  0.013  0.733  0.827  1.0
  O  O36  1  0.516  0.698  0.172  1.0
  O  O37  1  0.530  0.935  0.787  1.0
  O  O38  1  0.484  0.302  0.828  1.0
  O  O39  1  0.302  0.484  0.328  1.0
  O  O40  1  0.398  0.097  0.368  1.0
  O  O41  1  0.745  0.784  0.037  1.0
  O  O42  1  0.602  0.903  0.632  1.0
  O  O43  1  0.830  0.492  0.958  1.0
  O  O44  1  0.784  0.745  0.537  1.0
  O  O45  1  0.415  0.938  0.933  1.0
  O  O46  1  0.771  0.676  0.399  1.0
  O  O47  1  0.170  0.508  0.042  1.0
[/CIF]
.