The compound described by MgY2Mn2S2O5 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Y(1) is bonded in a 9-coordinate geometry to five equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Mn(1) is bonded to one S(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MnSO5 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. S(1) is bonded in a 6-coordinate geometry to five equivalent Y(1) and one Mn(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms to form corner-sharing OY2MgMn2 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MgMn2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.602
_cell_length_b   11.602
_cell_length_c   11.602
_cell_angle_alpha   160.331
_cell_angle_beta   160.292
_cell_angle_gamma   27.985
_symmetry_Int_Tables_number   1
_cell_volume   177.186
_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
  Y  Y0  1  0.337  0.837  0.500  1.0
  Y  Y1  1  0.663  0.163  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.092  0.592  0.500  1.0
  Mn  Mn4  1  0.908  0.408  0.500  1.0
  S  S5  1  0.205  0.705  0.500  1.0
  S  S6  1  0.795  0.295  0.500  1.0
  O  O7  1  0.605  0.605  0.000  1.0
  O  O8  1  0.395  0.395  0.000  1.0
  O  O9  1  0.092  0.092  0.000  1.0
  O  O10  1  0.908  0.908  0.000  1.0
  O  O11  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by MgY2Mn2S2O5 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Y(1) is bonded in a 9-coordinate geometry to five equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Mn(1) is bonded to one S(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MnSO5 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. S(1) is bonded in a 6-coordinate geometry to five equivalent Y(1) and one Mn(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Y(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms to form corner-sharing OY2MgMn2 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MgMn2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.602
_cell_length_b   11.602
_cell_length_c   11.602
_cell_angle_alpha   160.331
_cell_angle_beta   160.292
_cell_angle_gamma   27.985
_symmetry_Int_Tables_number   1
_cell_volume   177.186
_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
  Y  Y0  1  0.337  0.837  0.500  1.0
  Y  Y1  1  0.663  0.163  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.092  0.592  0.500  1.0
  Mn  Mn4  1  0.908  0.408  0.500  1.0
  S  S5  1  0.205  0.705  0.500  1.0
  S  S6  1  0.795  0.295  0.500  1.0
  O  O7  1  0.605  0.605  0.000  1.0
  O  O8  1  0.395  0.395  0.000  1.0
  O  O9  1  0.092  0.092  0.000  1.0
  O  O10  1  0.908  0.908  0.000  1.0
  O  O11  1  0.000  0.500  0.500  1.0
[/CIF]
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