The material structure described by SrNdMn2O5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O4 tetrahedra, and  a cornercorner with one Mn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Mn(2), and one Mn(3) atom to form ONd2Mn2 tetrahedra that share corners with four equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(6)Sr2Nd2Mn2 octahedra, and corners with two equivalent O(2)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 32-67°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form OSr2Mn2 tetrahedra that share corners with four equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(6)Sr2Nd2Mn2 octahedra, and corners with two equivalent O(1)Nd2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 24-72°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with two equivalent O(1)Nd2Mn2 tetrahedra, corners with two equivalent O(2)Sr2Mn2 tetrahedra, edges with two equivalent O(5)Sr2Nd2Mn2 octahedra, and faces with four equivalent O(6)Sr2Nd2Mn2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(6)Sr2Nd2Mn2 octahedra, corners with two equivalent O(1)Nd2Mn2 tetrahedra, corners with two equivalent O(2)Sr2Mn2 tetrahedra, edges with two equivalent O(6)Sr2Nd2Mn2 octahedra, and faces with four equivalent O(5)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF card [CIF]
data_SrNdMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.014
_cell_length_b   9.014
_cell_length_c   5.490
_cell_angle_alpha   72.282
_cell_angle_beta   72.282
_cell_angle_gamma   128.030
_symmetry_Int_Tables_number   1
_cell_volume   252.777
_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
  Sr  Sr0  1  0.627  0.903  0.489  1.0
  Sr  Sr1  1  0.903  0.627  0.489  1.0
  Nd  Nd2  1  0.367  0.082  0.520  1.0
  Nd  Nd3  1  0.082  0.367  0.520  1.0
  Mn  Mn4  1  0.499  0.999  0.999  1.0
  Mn  Mn5  1  0.999  0.499  0.999  1.0
  Mn  Mn6  1  0.306  0.306  0.988  1.0
  Mn  Mn7  1  0.687  0.687  0.108  1.0
  O  O8  1  0.324  0.324  0.368  1.0
  O  O9  1  0.644  0.644  0.525  1.0
  O  O10  1  0.705  0.937  0.912  1.0
  O  O11  1  0.333  0.095  0.039  1.0
  O  O12  1  0.937  0.705  0.912  1.0
  O  O13  1  0.095  0.333  0.039  1.0
  O  O14  1  0.739  0.261  0.497  1.0
  O  O15  1  0.254  0.738  0.006  1.0
  O  O16  1  0.261  0.739  0.497  1.0
  O  O17  1  0.738  0.254  0.006  1.0
[/CIF]
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The material structure described by SrNdMn2O5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O4 tetrahedra, and  a cornercorner with one Mn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Mn(2), and one Mn(3) atom to form ONd2Mn2 tetrahedra that share corners with four equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(6)Sr2Nd2Mn2 octahedra, and corners with two equivalent O(2)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 32-67°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form OSr2Mn2 tetrahedra that share corners with four equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(6)Sr2Nd2Mn2 octahedra, and corners with two equivalent O(1)Nd2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 24-72°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with two equivalent O(1)Nd2Mn2 tetrahedra, corners with two equivalent O(2)Sr2Mn2 tetrahedra, edges with two equivalent O(5)Sr2Nd2Mn2 octahedra, and faces with four equivalent O(6)Sr2Nd2Mn2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(6)Sr2Nd2Mn2 octahedra, corners with two equivalent O(1)Nd2Mn2 tetrahedra, corners with two equivalent O(2)Sr2Mn2 tetrahedra, edges with two equivalent O(6)Sr2Nd2Mn2 octahedra, and faces with four equivalent O(5)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. is represented by the CIF card [CIF]
data_SrNdMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.014
_cell_length_b   9.014
_cell_length_c   5.490
_cell_angle_alpha   72.282
_cell_angle_beta   72.282
_cell_angle_gamma   128.030
_symmetry_Int_Tables_number   1
_cell_volume   252.777
_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
  Sr  Sr0  1  0.627  0.903  0.489  1.0
  Sr  Sr1  1  0.903  0.627  0.489  1.0
  Nd  Nd2  1  0.367  0.082  0.520  1.0
  Nd  Nd3  1  0.082  0.367  0.520  1.0
  Mn  Mn4  1  0.499  0.999  0.999  1.0
  Mn  Mn5  1  0.999  0.499  0.999  1.0
  Mn  Mn6  1  0.306  0.306  0.988  1.0
  Mn  Mn7  1  0.687  0.687  0.108  1.0
  O  O8  1  0.324  0.324  0.368  1.0
  O  O9  1  0.644  0.644  0.525  1.0
  O  O10  1  0.705  0.937  0.912  1.0
  O  O11  1  0.333  0.095  0.039  1.0
  O  O12  1  0.937  0.705  0.912  1.0
  O  O13  1  0.095  0.333  0.039  1.0
  O  O14  1  0.739  0.261  0.497  1.0
  O  O15  1  0.254  0.738  0.006  1.0
  O  O16  1  0.261  0.739  0.497  1.0
  O  O17  1  0.738  0.254  0.006  1.0
[/CIF]
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