The compound described by Sr2SmNdMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Sm(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(3) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sm(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Sm(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sm(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NdSmMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   5.512
_cell_length_c   7.798
_cell_angle_alpha   89.556
_cell_angle_beta   89.556
_cell_angle_gamma   89.503
_symmetry_Int_Tables_number   1
_cell_volume   236.860
_cell_formula_units_Z   1
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  0.749  0.749  1.000  1.0
  Sr  Sr1  1  0.250  0.250  0.500  1.0
  Nd  Nd2  1  0.756  0.756  0.507  1.0
  Sm  Sm3  1  0.260  0.260  0.008  1.0
  Mn  Mn4  1  0.251  0.751  0.751  1.0
  Mn  Mn5  1  0.751  0.250  0.250  1.0
  Mn  Mn6  1  0.250  0.751  0.250  1.0
  Mn  Mn7  1  0.751  0.251  0.751  1.0
  O  O8  1  0.460  0.039  0.238  1.0
  O  O9  1  0.961  0.539  0.741  1.0
  O  O10  1  0.280  0.697  1.000  1.0
  O  O11  1  0.779  0.202  0.500  1.0
  O  O12  1  0.697  0.280  1.000  1.0
  O  O13  1  0.202  0.779  0.500  1.0
  O  O14  1  0.539  0.961  0.741  1.0
  O  O15  1  0.039  0.460  0.238  1.0
  O  O16  1  0.971  0.971  0.220  1.0
  O  O17  1  0.471  0.471  0.722  1.0
  O  O18  1  0.043  0.043  0.794  1.0
  O  O19  1  0.541  0.541  0.290  1.0
[/CIF]
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The compound described by Sr2SmNdMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(5), one O(6), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Sm(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(3) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sm(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Sm(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Nd(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sm(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NdSmMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   5.512
_cell_length_c   7.798
_cell_angle_alpha   89.556
_cell_angle_beta   89.556
_cell_angle_gamma   89.503
_symmetry_Int_Tables_number   1
_cell_volume   236.860
_cell_formula_units_Z   1
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  0.749  0.749  1.000  1.0
  Sr  Sr1  1  0.250  0.250  0.500  1.0
  Nd  Nd2  1  0.756  0.756  0.507  1.0
  Sm  Sm3  1  0.260  0.260  0.008  1.0
  Mn  Mn4  1  0.251  0.751  0.751  1.0
  Mn  Mn5  1  0.751  0.250  0.250  1.0
  Mn  Mn6  1  0.250  0.751  0.250  1.0
  Mn  Mn7  1  0.751  0.251  0.751  1.0
  O  O8  1  0.460  0.039  0.238  1.0
  O  O9  1  0.961  0.539  0.741  1.0
  O  O10  1  0.280  0.697  1.000  1.0
  O  O11  1  0.779  0.202  0.500  1.0
  O  O12  1  0.697  0.280  1.000  1.0
  O  O13  1  0.202  0.779  0.500  1.0
  O  O14  1  0.539  0.961  0.741  1.0
  O  O15  1  0.039  0.460  0.238  1.0
  O  O16  1  0.971  0.971  0.220  1.0
  O  O17  1  0.471  0.471  0.722  1.0
  O  O18  1  0.043  0.043  0.794  1.0
  O  O19  1  0.541  0.541  0.290  1.0
[/CIF]
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