The material described by NdMoO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Mo(1) 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 distorted linear geometry to one Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NdMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.885
_cell_length_b   5.506
_cell_length_c   7.152
_cell_angle_alpha   64.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.110
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.058  0.649  0.713  1.0
  Nd  Nd1  1  0.942  0.351  0.287  1.0
  Nd  Nd2  1  0.558  0.351  0.787  1.0
  Nd  Nd3  1  0.442  0.649  0.213  1.0
  Mo  Mo4  1  0.363  0.911  0.646  1.0
  Mo  Mo5  1  0.637  0.089  0.354  1.0
  Mo  Mo6  1  0.863  0.089  0.854  1.0
  Mo  Mo7  1  0.137  0.911  0.146  1.0
  O  O8  1  0.424  0.498  0.951  1.0
  O  O9  1  0.576  0.502  0.049  1.0
  O  O10  1  0.924  0.502  0.549  1.0
  O  O11  1  0.076  0.498  0.451  1.0
  O  O12  1  0.928  0.992  0.662  1.0
  O  O13  1  0.072  0.008  0.338  1.0
  O  O14  1  0.428  0.008  0.838  1.0
  O  O15  1  0.572  0.992  0.162  1.0
  O  O16  1  0.435  0.707  0.541  1.0
  O  O17  1  0.565  0.293  0.459  1.0
  O  O18  1  0.935  0.293  0.959  1.0
  O  O19  1  0.065  0.707  0.041  1.0
  O  O20  1  0.235  0.793  0.716  1.0
  O  O21  1  0.765  0.207  0.284  1.0
  O  O22  1  0.735  0.207  0.784  1.0
  O  O23  1  0.265  0.793  0.216  1.0
  O  O24  1  0.650  0.775  0.573  1.0
  O  O25  1  0.350  0.225  0.427  1.0
  O  O26  1  0.150  0.225  0.927  1.0
  O  O27  1  0.850  0.775  0.073  1.0
[/CIF]
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The material described by NdMoO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one Mo(1) 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 distorted linear geometry to one Nd(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nd(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_NdMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.885
_cell_length_b   5.506
_cell_length_c   7.152
_cell_angle_alpha   64.540
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   458.110
_cell_formula_units_Z   4
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
  Nd  Nd0  1  0.058  0.649  0.713  1.0
  Nd  Nd1  1  0.942  0.351  0.287  1.0
  Nd  Nd2  1  0.558  0.351  0.787  1.0
  Nd  Nd3  1  0.442  0.649  0.213  1.0
  Mo  Mo4  1  0.363  0.911  0.646  1.0
  Mo  Mo5  1  0.637  0.089  0.354  1.0
  Mo  Mo6  1  0.863  0.089  0.854  1.0
  Mo  Mo7  1  0.137  0.911  0.146  1.0
  O  O8  1  0.424  0.498  0.951  1.0
  O  O9  1  0.576  0.502  0.049  1.0
  O  O10  1  0.924  0.502  0.549  1.0
  O  O11  1  0.076  0.498  0.451  1.0
  O  O12  1  0.928  0.992  0.662  1.0
  O  O13  1  0.072  0.008  0.338  1.0
  O  O14  1  0.428  0.008  0.838  1.0
  O  O15  1  0.572  0.992  0.162  1.0
  O  O16  1  0.435  0.707  0.541  1.0
  O  O17  1  0.565  0.293  0.459  1.0
  O  O18  1  0.935  0.293  0.959  1.0
  O  O19  1  0.065  0.707  0.041  1.0
  O  O20  1  0.235  0.793  0.716  1.0
  O  O21  1  0.765  0.207  0.284  1.0
  O  O22  1  0.735  0.207  0.784  1.0
  O  O23  1  0.265  0.793  0.216  1.0
  O  O24  1  0.650  0.775  0.573  1.0
  O  O25  1  0.350  0.225  0.427  1.0
  O  O26  1  0.150  0.225  0.927  1.0
  O  O27  1  0.850  0.775  0.073  1.0
[/CIF]
.