The compound described by SrSm3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(2), one Sm(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(1), one Sm(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(1), one Sm(2), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sm(3), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Sm(1), one Sm(2), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Sm(3), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSm3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.760
_cell_length_b   5.467
_cell_length_c   5.652
_cell_angle_alpha   89.696
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.777
_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  0.500  0.492  0.540  1.0
  Sm  Sm1  1  0.000  0.987  0.946  1.0
  Sm  Sm2  1  0.000  0.514  0.441  1.0
  Sm  Sm3  1  0.500  0.015  0.056  1.0
  Mn  Mn4  1  0.250  0.497  0.997  1.0
  Mn  Mn5  1  0.251  0.002  0.501  1.0
  Mn  Mn6  1  0.749  0.002  0.501  1.0
  Mn  Mn7  1  0.750  0.497  0.997  1.0
  O  O8  1  0.801  0.782  0.203  1.0
  O  O9  1  0.718  0.283  0.289  1.0
  O  O10  1  0.712  0.205  0.810  1.0
  O  O11  1  0.804  0.715  0.705  1.0
  O  O12  1  0.288  0.205  0.810  1.0
  O  O13  1  0.196  0.715  0.705  1.0
  O  O14  1  0.199  0.782  0.203  1.0
  O  O15  1  0.282  0.283  0.289  1.0
  O  O16  1  0.500  0.593  0.989  1.0
  O  O17  1  0.000  0.094  0.529  1.0
  O  O18  1  0.000  0.410  0.021  1.0
  O  O19  1  0.500  0.936  0.470  1.0
[/CIF]
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The compound described by SrSm3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(5), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(2), one Sm(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(1), one Sm(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sm(1), one Sm(2), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sm(3), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Sm(1), one Sm(2), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(1), one Sm(3), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSm3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.760
_cell_length_b   5.467
_cell_length_c   5.652
_cell_angle_alpha   89.696
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.777
_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  0.500  0.492  0.540  1.0
  Sm  Sm1  1  0.000  0.987  0.946  1.0
  Sm  Sm2  1  0.000  0.514  0.441  1.0
  Sm  Sm3  1  0.500  0.015  0.056  1.0
  Mn  Mn4  1  0.250  0.497  0.997  1.0
  Mn  Mn5  1  0.251  0.002  0.501  1.0
  Mn  Mn6  1  0.749  0.002  0.501  1.0
  Mn  Mn7  1  0.750  0.497  0.997  1.0
  O  O8  1  0.801  0.782  0.203  1.0
  O  O9  1  0.718  0.283  0.289  1.0
  O  O10  1  0.712  0.205  0.810  1.0
  O  O11  1  0.804  0.715  0.705  1.0
  O  O12  1  0.288  0.205  0.810  1.0
  O  O13  1  0.196  0.715  0.705  1.0
  O  O14  1  0.199  0.782  0.203  1.0
  O  O15  1  0.282  0.283  0.289  1.0
  O  O16  1  0.500  0.593  0.989  1.0
  O  O17  1  0.000  0.094  0.529  1.0
  O  O18  1  0.000  0.410  0.021  1.0
  O  O19  1  0.500  0.936  0.470  1.0
[/CIF]
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