The material described by NdMn2O5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O5 square pyramids and edges with two equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Nd(1) and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONd2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_NdMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   7.495
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.176
_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  0.000  0.359  0.672  1.0
  Nd  Nd1  1  0.000  0.641  0.328  1.0
  Nd  Nd2  1  0.000  0.859  0.828  1.0
  Nd  Nd3  1  0.000  0.141  0.172  1.0
  Mn  Mn4  1  0.500  0.090  0.851  1.0
  Mn  Mn5  1  0.500  0.910  0.149  1.0
  Mn  Mn6  1  0.500  0.590  0.649  1.0
  Mn  Mn7  1  0.500  0.410  0.351  1.0
  Mn  Mn8  1  0.257  0.500  0.000  1.0
  Mn  Mn9  1  0.743  0.000  0.500  1.0
  Mn  Mn10  1  0.743  0.500  0.000  1.0
  Mn  Mn11  1  0.257  0.000  0.500  1.0
  O  O12  1  0.251  0.902  0.294  1.0
  O  O13  1  0.251  0.098  0.706  1.0
  O  O14  1  0.749  0.402  0.206  1.0
  O  O15  1  0.749  0.598  0.794  1.0
  O  O16  1  0.749  0.098  0.706  1.0
  O  O17  1  0.749  0.902  0.294  1.0
  O  O18  1  0.251  0.598  0.794  1.0
  O  O19  1  0.251  0.402  0.206  1.0
  O  O20  1  0.500  0.347  0.937  1.0
  O  O21  1  0.500  0.653  0.063  1.0
  O  O22  1  0.500  0.847  0.563  1.0
  O  O23  1  0.500  0.153  0.437  1.0
  O  O24  1  0.278  0.000  0.000  1.0
  O  O25  1  0.722  0.500  0.500  1.0
  O  O26  1  0.722  0.000  0.000  1.0
  O  O27  1  0.278  0.500  0.500  1.0
  O  O28  1  0.000  0.157  0.448  1.0
  O  O29  1  0.000  0.843  0.552  1.0
  O  O30  1  0.000  0.657  0.052  1.0
  O  O31  1  0.000  0.343  0.948  1.0
[/CIF]
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The material described by NdMn2O5 crystallizes in the orthorhombic Pbam space group. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O5 square pyramids and edges with two equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Nd(1) and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONd2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_NdMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   7.495
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.176
_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  0.000  0.359  0.672  1.0
  Nd  Nd1  1  0.000  0.641  0.328  1.0
  Nd  Nd2  1  0.000  0.859  0.828  1.0
  Nd  Nd3  1  0.000  0.141  0.172  1.0
  Mn  Mn4  1  0.500  0.090  0.851  1.0
  Mn  Mn5  1  0.500  0.910  0.149  1.0
  Mn  Mn6  1  0.500  0.590  0.649  1.0
  Mn  Mn7  1  0.500  0.410  0.351  1.0
  Mn  Mn8  1  0.257  0.500  0.000  1.0
  Mn  Mn9  1  0.743  0.000  0.500  1.0
  Mn  Mn10  1  0.743  0.500  0.000  1.0
  Mn  Mn11  1  0.257  0.000  0.500  1.0
  O  O12  1  0.251  0.902  0.294  1.0
  O  O13  1  0.251  0.098  0.706  1.0
  O  O14  1  0.749  0.402  0.206  1.0
  O  O15  1  0.749  0.598  0.794  1.0
  O  O16  1  0.749  0.098  0.706  1.0
  O  O17  1  0.749  0.902  0.294  1.0
  O  O18  1  0.251  0.598  0.794  1.0
  O  O19  1  0.251  0.402  0.206  1.0
  O  O20  1  0.500  0.347  0.937  1.0
  O  O21  1  0.500  0.653  0.063  1.0
  O  O22  1  0.500  0.847  0.563  1.0
  O  O23  1  0.500  0.153  0.437  1.0
  O  O24  1  0.278  0.000  0.000  1.0
  O  O25  1  0.722  0.500  0.500  1.0
  O  O26  1  0.722  0.000  0.000  1.0
  O  O27  1  0.278  0.500  0.500  1.0
  O  O28  1  0.000  0.157  0.448  1.0
  O  O29  1  0.000  0.843  0.552  1.0
  O  O30  1  0.000  0.657  0.052  1.0
  O  O31  1  0.000  0.343  0.948  1.0
[/CIF]
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