data_Y2MnFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.79
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   124.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnFeO6
_chemical_formula_sum   'Y4 Mn2 Fe2 O12'
_cell_volume   235.41
_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
  Y  Y0  1  0.59  0.35  0.9  1.0
  Y  Y1  1  0.11  0.45  0.9  1.0
  Y  Y2  1  0.46  0.45  0.7  1.0
  Y  Y3  1  0.94  0.34  0.7  1.0
  Mn  Mn4  1  0.35  0.9  0.8  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Fe  Fe6  1  0.67  0.9  0.0  1.0
  Fe  Fe7  1  0.02  0.0  0.8  1.0
  O  O8  1  0.99  0.82  0.22  1.0
  O  O9  1  0.41  0.71  0.18  1.0
  O  O10  1  0.06  0.92  0.45  1.0
  O  O11  1  0.63  0.03  0.35  1.0
  O  O12  1  0.06  0.98  0.38  1.0
  O  O13  1  0.64  0.08  0.42  1.0
  O  O14  1  0.98  0.87  0.15  1.0
  O  O15  1  0.41  0.76  0.25  1.0
  O  O16  1  0.75  0.67  0.66  1.0
  O  O17  1  0.64  0.57  0.73  1.0
  O  O18  1  0.3  0.12  0.94  1.0
  O  O19  1  0.4  0.23  0.86  1.0

data_Y2MnFeO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.35
_cell_length_b   5.79
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnFeO6
_chemical_formula_sum   'Y4 Mn2 Fe2 O12'
_cell_volume   235.41
_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
  Y  Y0  1  0.21  0.55  0.1  1.0
  Y  Y1  1  0.24  0.66  0.3  1.0
  Y  Y2  1  0.69  0.65  0.1  1.0
  Y  Y3  1  0.76  0.55  0.3  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.55  0.1  0.2  1.0
  Fe  Fe6  1  0.22  0.0  0.2  1.0
  Fe  Fe7  1  0.67  0.1  -0.0  1.0
  O  O8  1  0.09  0.33  0.34  1.0
  O  O9  1  0.16  0.24  0.75  1.0
  O  O10  1  0.22  0.92  0.58  1.0
  O  O11  1  0.23  0.29  0.82  1.0
  O  O12  1  0.29  0.97  0.65  1.0
  O  O13  1  0.36  0.88  0.06  1.0
  O  O14  1  0.54  0.77  0.14  1.0
  O  O15  1  0.61  0.08  0.55  1.0
  O  O16  1  0.68  0.02  0.62  1.0
  O  O17  1  0.77  0.18  0.78  1.0
  O  O18  1  0.84  0.13  0.85  1.0
  O  O19  1  0.91  0.43  0.27  1.0

Y Y Y Y Mn Mn Fe Fe O O O O O O O O O O O O
Y2FeMnO6 crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one O(12) atom. The Y(1)-O(12) bond length is 1.09 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Y(4), one O(10), one O(11), one O(12), one O(2), and one O(9) atom. The Y(2)-Y(4) bond length is 1.65 Å. The Y(2)-O(10) bond length is 2.16 Å. The Y(2)-O(11) bond length is 2.08 Å. The Y(2)-O(12) bond length is 2.19 Å. The Y(2)-O(2) bond length is 2.63 Å. The Y(2)-O(9) bond length is 2.31 Å. In the third Y site, Y(3) is bonded in a single-bond geometry to one O(10) atom. The Y(3)-O(10) bond length is 1.09 Å. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one Y(2), one Fe(2), one O(10), one O(12), one O(6), and one O(9) atom. The Y(4)-Fe(2) bond length is 2.13 Å. The Y(4)-O(10) bond length is 2.19 Å. The Y(4)-O(12) bond length is 2.16 Å. The Y(4)-O(6) bond length is 2.63 Å. The Y(4)-O(9) bond length is 2.08 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Fe(1), one Fe(2), one O(10), one O(11), one O(12), and one O(3) atom. The Mn(1)-Fe(1) bond length is 1.67 Å. The Mn(1)-Fe(2) bond length is 1.84 Å. The Mn(1)-O(10) bond length is 2.75 Å. The Mn(1)-O(11) bond length is 1.95 Å. The Mn(1)-O(12) bond length is 1.97 Å. The Mn(1)-O(3) bond length is 2.66 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one O(2) and one O(7) atom. The Mn(2)-O(2) bond length is 2.49 Å. The Mn(2)-O(7) bond length is 1.59 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Mn(1) and one O(7) atom. The Fe(1)-O(7) bond length is 1.43 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Y(4), one Mn(1), one O(11), and one O(9) atom. The Fe(2)-O(11) bond length is 1.45 Å. The Fe(2)-O(9) bond length is 2.29 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. The O(1)-O(5) bond length is 1.65 Å. The O(1)-O(7) bond length is 0.70 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(2), one Mn(2), and one O(8) atom. The O(2)-O(8) bond length is 0.70 Å. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one O(5) atom. The O(3)-O(5) bond length is 0.70 Å. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one O(6) atom. The O(4)-O(6) bond length is 0.70 Å. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Y(4) and one O(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(1), and one O(1) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one O(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), one Fe(2), and one O(10) atom. The O(9)-O(10) bond length is 1.25 Å. In the tenth O site, O(10) is bonded in a single-bond geometry to one Y(2), one Y(3), one Y(4), one Mn(1), and one O(9) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Y(2), one Mn(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Y(1), one Y(2), one Y(4), and one Mn(1) atom.