The compound described by BaNd2Cu(MoO4)4 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Mo(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_BaNd2Cu(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   7.016
_cell_length_c   19.622
_cell_angle_alpha   89.293
_cell_angle_beta   88.159
_cell_angle_gamma   67.414
_symmetry_Int_Tables_number   1
_cell_volume   684.671
_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
  Ba  Ba0  1  0.475  0.049  0.750  1.0
  Ba  Ba1  1  0.525  0.951  0.250  1.0
  Nd  Nd2  1  0.353  0.287  0.533  1.0
  Nd  Nd3  1  0.647  0.713  0.467  1.0
  Nd  Nd4  1  0.360  0.287  0.967  1.0
  Nd  Nd5  1  0.640  0.713  0.033  1.0
  Cu  Cu6  1  0.188  0.625  0.750  1.0
  Cu  Cu7  1  0.812  0.375  0.250  1.0
  Mo  Mo8  1  0.072  0.877  0.905  1.0
  Mo  Mo9  1  0.928  0.123  0.095  1.0
  Mo  Mo10  1  0.050  0.877  0.595  1.0
  Mo  Mo11  1  0.950  0.123  0.405  1.0
  Mo  Mo12  1  0.772  0.471  0.849  1.0
  Mo  Mo13  1  0.228  0.529  0.151  1.0
  Mo  Mo14  1  0.757  0.471  0.651  1.0
  Mo  Mo15  1  0.243  0.529  0.349  1.0
  O  O16  1  0.615  0.285  0.862  1.0
  O  O17  1  0.385  0.715  0.138  1.0
  O  O18  1  0.099  0.285  0.638  1.0
  O  O19  1  0.901  0.715  0.362  1.0
  O  O20  1  0.323  0.660  0.955  1.0
  O  O21  1  0.677  0.340  0.045  1.0
  O  O22  1  0.017  0.660  0.545  1.0
  O  O23  1  0.984  0.340  0.455  1.0
  O  O24  1  0.282  0.956  0.538  1.0
  O  O25  1  0.718  0.044  0.462  1.0
  O  O26  1  0.763  0.956  0.962  1.0
  O  O27  1  0.237  0.044  0.038  1.0
  O  O28  1  0.205  0.833  0.679  1.0
  O  O29  1  0.795  0.167  0.321  1.0
  O  O30  1  0.962  0.833  0.821  1.0
  O  O31  1  0.038  0.167  0.179  1.0
  O  O32  1  0.577  0.517  0.570  1.0
  O  O33  1  0.423  0.483  0.430  1.0
  O  O34  1  0.906  0.517  0.930  1.0
  O  O35  1  0.094  0.483  0.070  1.0
  O  O36  1  0.556  0.403  0.715  1.0
  O  O37  1  0.444  0.597  0.285  1.0
  O  O38  1  0.040  0.403  0.785  1.0
  O  O39  1  0.960  0.597  0.215  1.0
  O  O40  1  0.512  0.702  0.822  1.0
  O  O41  1  0.488  0.298  0.178  1.0
  O  O42  1  0.786  0.702  0.678  1.0
  O  O43  1  0.214  0.298  0.322  1.0
  O  O44  1  0.282  0.915  0.391  1.0
  O  O45  1  0.718  0.085  0.609  1.0
  O  O46  1  0.803  0.915  0.109  1.0
  O  O47  1  0.197  0.085  0.891  1.0
[/CIF]
.
The compound described by BaNd2Cu(MoO4)4 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Mo(2), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Nd(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_BaNd2Cu(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   7.016
_cell_length_c   19.622
_cell_angle_alpha   89.293
_cell_angle_beta   88.159
_cell_angle_gamma   67.414
_symmetry_Int_Tables_number   1
_cell_volume   684.671
_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
  Ba  Ba0  1  0.475  0.049  0.750  1.0
  Ba  Ba1  1  0.525  0.951  0.250  1.0
  Nd  Nd2  1  0.353  0.287  0.533  1.0
  Nd  Nd3  1  0.647  0.713  0.467  1.0
  Nd  Nd4  1  0.360  0.287  0.967  1.0
  Nd  Nd5  1  0.640  0.713  0.033  1.0
  Cu  Cu6  1  0.188  0.625  0.750  1.0
  Cu  Cu7  1  0.812  0.375  0.250  1.0
  Mo  Mo8  1  0.072  0.877  0.905  1.0
  Mo  Mo9  1  0.928  0.123  0.095  1.0
  Mo  Mo10  1  0.050  0.877  0.595  1.0
  Mo  Mo11  1  0.950  0.123  0.405  1.0
  Mo  Mo12  1  0.772  0.471  0.849  1.0
  Mo  Mo13  1  0.228  0.529  0.151  1.0
  Mo  Mo14  1  0.757  0.471  0.651  1.0
  Mo  Mo15  1  0.243  0.529  0.349  1.0
  O  O16  1  0.615  0.285  0.862  1.0
  O  O17  1  0.385  0.715  0.138  1.0
  O  O18  1  0.099  0.285  0.638  1.0
  O  O19  1  0.901  0.715  0.362  1.0
  O  O20  1  0.323  0.660  0.955  1.0
  O  O21  1  0.677  0.340  0.045  1.0
  O  O22  1  0.017  0.660  0.545  1.0
  O  O23  1  0.984  0.340  0.455  1.0
  O  O24  1  0.282  0.956  0.538  1.0
  O  O25  1  0.718  0.044  0.462  1.0
  O  O26  1  0.763  0.956  0.962  1.0
  O  O27  1  0.237  0.044  0.038  1.0
  O  O28  1  0.205  0.833  0.679  1.0
  O  O29  1  0.795  0.167  0.321  1.0
  O  O30  1  0.962  0.833  0.821  1.0
  O  O31  1  0.038  0.167  0.179  1.0
  O  O32  1  0.577  0.517  0.570  1.0
  O  O33  1  0.423  0.483  0.430  1.0
  O  O34  1  0.906  0.517  0.930  1.0
  O  O35  1  0.094  0.483  0.070  1.0
  O  O36  1  0.556  0.403  0.715  1.0
  O  O37  1  0.444  0.597  0.285  1.0
  O  O38  1  0.040  0.403  0.785  1.0
  O  O39  1  0.960  0.597  0.215  1.0
  O  O40  1  0.512  0.702  0.822  1.0
  O  O41  1  0.488  0.298  0.178  1.0
  O  O42  1  0.786  0.702  0.678  1.0
  O  O43  1  0.214  0.298  0.322  1.0
  O  O44  1  0.282  0.915  0.391  1.0
  O  O45  1  0.718  0.085  0.609  1.0
  O  O46  1  0.803  0.915  0.109  1.0
  O  O47  1  0.197  0.085  0.891  1.0
[/CIF]
.