The crystal structure described by RbNdWMnO6 crystallizes in the monoclinic P2_1 space group. Rb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with five equivalent Mn(1)O5 square pyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 square pyramids that share corners with five equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing ONd2MnW trigonal pyramids. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Nd(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Rb(1), one Nd(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to two equivalent Nd(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing ONd2MnW tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to four equivalent Rb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_RbNdMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.674
_cell_length_c   9.623
_cell_angle_alpha   90.000
_cell_angle_beta   92.081
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.790
_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
  Rb  Rb0  1  0.233  0.772  0.010  1.0
  Rb  Rb1  1  0.767  0.272  0.990  1.0
  Nd  Nd2  1  0.263  0.817  0.500  1.0
  Nd  Nd3  1  0.737  0.317  0.500  1.0
  Mn  Mn4  1  0.748  0.777  0.298  1.0
  Mn  Mn5  1  0.252  0.277  0.702  1.0
  W  W6  1  0.771  0.768  0.727  1.0
  W  W7  1  0.229  0.268  0.273  1.0
  O  O8  1  0.556  0.033  0.661  1.0
  O  O9  1  0.444  0.533  0.339  1.0
  O  O10  1  0.510  0.060  0.339  1.0
  O  O11  1  0.490  0.560  0.661  1.0
  O  O12  1  0.950  0.460  0.265  1.0
  O  O13  1  0.050  0.960  0.735  1.0
  O  O14  1  0.950  0.478  0.739  1.0
  O  O15  1  0.050  0.978  0.261  1.0
  O  O16  1  0.848  0.736  0.510  1.0
  O  O17  1  0.152  0.236  0.490  1.0
  O  O18  1  0.702  0.781  0.911  1.0
  O  O19  1  0.298  0.281  0.089  1.0
[/CIF]
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The crystal structure described by RbNdWMnO6 crystallizes in the monoclinic P2_1 space group. Rb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with five equivalent Mn(1)O5 square pyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 square pyramids that share corners with five equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1), one W(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing ONd2MnW trigonal pyramids. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Nd(1), one W(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Rb(1), one Nd(1), one W(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded to two equivalent Nd(1), one W(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing ONd2MnW tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to four equivalent Rb(1) and one W(1) atom. is represented by the CIF card [CIF]
data_RbNdMnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.568
_cell_length_b   5.674
_cell_length_c   9.623
_cell_angle_alpha   90.000
_cell_angle_beta   92.081
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.790
_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
  Rb  Rb0  1  0.233  0.772  0.010  1.0
  Rb  Rb1  1  0.767  0.272  0.990  1.0
  Nd  Nd2  1  0.263  0.817  0.500  1.0
  Nd  Nd3  1  0.737  0.317  0.500  1.0
  Mn  Mn4  1  0.748  0.777  0.298  1.0
  Mn  Mn5  1  0.252  0.277  0.702  1.0
  W  W6  1  0.771  0.768  0.727  1.0
  W  W7  1  0.229  0.268  0.273  1.0
  O  O8  1  0.556  0.033  0.661  1.0
  O  O9  1  0.444  0.533  0.339  1.0
  O  O10  1  0.510  0.060  0.339  1.0
  O  O11  1  0.490  0.560  0.661  1.0
  O  O12  1  0.950  0.460  0.265  1.0
  O  O13  1  0.050  0.960  0.735  1.0
  O  O14  1  0.950  0.478  0.739  1.0
  O  O15  1  0.050  0.978  0.261  1.0
  O  O16  1  0.848  0.736  0.510  1.0
  O  O17  1  0.152  0.236  0.490  1.0
  O  O18  1  0.702  0.781  0.911  1.0
  O  O19  1  0.298  0.281  0.089  1.0
[/CIF]
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