The material described by SrMgMnO3 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_SrMgMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   4.626
_cell_length_c   4.561
_cell_angle_alpha   80.956
_cell_angle_beta   81.316
_cell_angle_gamma   80.946
_symmetry_Int_Tables_number   1
_cell_volume   93.093
_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  0.623  0.622  0.623  1.0
  Mg  Mg1  1  0.239  0.234  0.239  1.0
  Mn  Mn2  1  0.955  0.950  0.955  1.0
  O  O3  1  0.483  0.980  0.982  1.0
  O  O4  1  0.984  0.484  0.984  1.0
  O  O5  1  0.982  0.980  0.483  1.0
[/CIF]
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The material described by SrMgMnO3 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Mg(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_SrMgMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   4.626
_cell_length_c   4.561
_cell_angle_alpha   80.956
_cell_angle_beta   81.316
_cell_angle_gamma   80.946
_symmetry_Int_Tables_number   1
_cell_volume   93.093
_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  0.623  0.622  0.623  1.0
  Mg  Mg1  1  0.239  0.234  0.239  1.0
  Mn  Mn2  1  0.955  0.950  0.955  1.0
  O  O3  1  0.483  0.980  0.982  1.0
  O  O4  1  0.984  0.484  0.984  1.0
  O  O5  1  0.982  0.980  0.483  1.0
[/CIF]
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