The crystal structure described by Sr2NdMn3O9 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to one O(5), two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted SrO12 cuboctahedra that share corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with five equivalent Mn(2)O6 octahedra. Nd(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-21°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-22°. There are five inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom to form distorted OSr3NdMn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(4)Sr3NdMn2 octahedra, edges with two equivalent O(5)Sr2Nd2Mn2 octahedra, and edges with two equivalent O(4)Sr3NdMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(5) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(2) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(4)Sr3NdMn2 octahedra, and edges with four equivalent O(4)Sr3NdMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(2) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr2NdMn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   5.542
_cell_length_c   13.461
_cell_angle_alpha   88.466
_cell_angle_beta   88.466
_cell_angle_gamma   58.825
_symmetry_Int_Tables_number   1
_cell_volume   353.511
_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  0.835  0.831  0.917  1.0
  Sr  Sr1  1  0.169  0.165  0.583  1.0
  Sr  Sr2  1  0.831  0.835  0.417  1.0
  Sr  Sr3  1  0.165  0.169  0.083  1.0
  Nd  Nd4  1  0.495  0.505  0.250  1.0
  Nd  Nd5  1  0.505  0.495  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.000  1.0
  Mn  Mn7  1  0.833  0.833  0.667  1.0
  Mn  Mn8  1  0.167  0.167  0.333  1.0
  Mn  Mn9  1  0.167  0.167  0.833  1.0
  Mn  Mn10  1  0.500  0.500  0.500  1.0
  Mn  Mn11  1  0.833  0.833  0.167  1.0
  O  O12  1  0.477  0.069  0.738  1.0
  O  O13  1  0.799  0.390  0.398  1.0
  O  O14  1  0.142  0.718  0.072  1.0
  O  O15  1  0.858  0.282  0.928  1.0
  O  O16  1  0.201  0.610  0.602  1.0
  O  O17  1  0.523  0.931  0.262  1.0
  O  O18  1  0.390  0.799  0.898  1.0
  O  O19  1  0.718  0.142  0.572  1.0
  O  O20  1  0.069  0.477  0.238  1.0
  O  O21  1  0.931  0.523  0.762  1.0
  O  O22  1  0.282  0.858  0.428  1.0
  O  O23  1  0.610  0.201  0.102  1.0
  O  O24  1  0.337  0.338  0.911  1.0
  O  O25  1  0.662  0.663  0.589  1.0
  O  O26  1  0.991  0.009  0.250  1.0
  O  O27  1  0.009  0.991  0.750  1.0
  O  O28  1  0.338  0.337  0.411  1.0
  O  O29  1  0.663  0.662  0.089  1.0
[/CIF]
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The crystal structure described by Sr2NdMn3O9 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to one O(5), two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted SrO12 cuboctahedra that share corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with five equivalent Mn(2)O6 octahedra. Nd(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-21°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-22°. There are five inequivalent O sites. In the first O site, O(4) is bonded to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom to form distorted OSr3NdMn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(4)Sr3NdMn2 octahedra, edges with two equivalent O(5)Sr2Nd2Mn2 octahedra, and edges with two equivalent O(4)Sr3NdMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(5) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(2) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(5)Sr2Nd2Mn2 octahedra, corners with four equivalent O(4)Sr3NdMn2 octahedra, and edges with four equivalent O(4)Sr3NdMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(2) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Nd(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr2NdMn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.542
_cell_length_b   5.542
_cell_length_c   13.461
_cell_angle_alpha   88.466
_cell_angle_beta   88.466
_cell_angle_gamma   58.825
_symmetry_Int_Tables_number   1
_cell_volume   353.511
_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  0.835  0.831  0.917  1.0
  Sr  Sr1  1  0.169  0.165  0.583  1.0
  Sr  Sr2  1  0.831  0.835  0.417  1.0
  Sr  Sr3  1  0.165  0.169  0.083  1.0
  Nd  Nd4  1  0.495  0.505  0.250  1.0
  Nd  Nd5  1  0.505  0.495  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.000  1.0
  Mn  Mn7  1  0.833  0.833  0.667  1.0
  Mn  Mn8  1  0.167  0.167  0.333  1.0
  Mn  Mn9  1  0.167  0.167  0.833  1.0
  Mn  Mn10  1  0.500  0.500  0.500  1.0
  Mn  Mn11  1  0.833  0.833  0.167  1.0
  O  O12  1  0.477  0.069  0.738  1.0
  O  O13  1  0.799  0.390  0.398  1.0
  O  O14  1  0.142  0.718  0.072  1.0
  O  O15  1  0.858  0.282  0.928  1.0
  O  O16  1  0.201  0.610  0.602  1.0
  O  O17  1  0.523  0.931  0.262  1.0
  O  O18  1  0.390  0.799  0.898  1.0
  O  O19  1  0.718  0.142  0.572  1.0
  O  O20  1  0.069  0.477  0.238  1.0
  O  O21  1  0.931  0.523  0.762  1.0
  O  O22  1  0.282  0.858  0.428  1.0
  O  O23  1  0.610  0.201  0.102  1.0
  O  O24  1  0.337  0.338  0.911  1.0
  O  O25  1  0.662  0.663  0.589  1.0
  O  O26  1  0.991  0.009  0.250  1.0
  O  O27  1  0.009  0.991  0.750  1.0
  O  O28  1  0.338  0.337  0.411  1.0
  O  O29  1  0.663  0.662  0.089  1.0
[/CIF]
.