The structure described by BaGd2Mn2O7 crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Gd(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(2), and three equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-23°. There are five inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms to form distorted OBa2Gd2Mn2 octahedra that share corners with four equivalent O(1)Ba4Mn2 octahedra,  an edgeedge with one O(3)Ba2Gd2Mn2 octahedra, and faces with two equivalent O(1)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Mn(1) atom. In the fourth O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form distorted OBa4Mn2 octahedra that share corners with four equivalent O(3)Ba2Gd2Mn2 octahedra, corners with four equivalent O(1)Ba4Mn2 octahedra, edges with four equivalent O(1)Ba4Mn2 octahedra, and faces with two equivalent O(3)Ba2Gd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-59°. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGd2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   5.561
_cell_length_c   19.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.218
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.246  0.246  0.000  1.0
  Ba  Ba1  1  0.254  0.746  0.500  1.0
  Ba  Ba2  1  0.746  0.254  0.500  1.0
  Ba  Ba3  1  0.754  0.754  0.000  1.0
  Gd  Gd4  1  0.228  0.228  0.183  1.0
  Gd  Gd5  1  0.272  0.728  0.683  1.0
  Gd  Gd6  1  0.728  0.272  0.683  1.0
  Gd  Gd7  1  0.728  0.272  0.317  1.0
  Gd  Gd8  1  0.272  0.728  0.317  1.0
  Gd  Gd9  1  0.772  0.772  0.183  1.0
  Gd  Gd10  1  0.228  0.228  0.817  1.0
  Gd  Gd11  1  0.772  0.772  0.817  1.0
  Mn  Mn12  1  0.247  0.247  0.398  1.0
  Mn  Mn13  1  0.253  0.747  0.898  1.0
  Mn  Mn14  1  0.747  0.253  0.898  1.0
  Mn  Mn15  1  0.747  0.253  0.102  1.0
  Mn  Mn16  1  0.253  0.747  0.102  1.0
  Mn  Mn17  1  0.753  0.753  0.398  1.0
  Mn  Mn18  1  0.247  0.247  0.602  1.0
  Mn  Mn19  1  0.753  0.753  0.602  1.0
  O  O20  1  0.268  0.732  0.000  1.0
  O  O21  1  0.768  0.768  0.500  1.0
  O  O22  1  0.232  0.232  0.500  1.0
  O  O23  1  0.732  0.268  0.000  1.0
  O  O24  1  0.000  0.500  0.389  1.0
  O  O25  1  0.000  0.500  0.889  1.0
  O  O26  1  0.500  0.000  0.111  1.0
  O  O27  1  0.500  0.000  0.611  1.0
  O  O28  1  0.000  0.500  0.611  1.0
  O  O29  1  0.000  0.500  0.111  1.0
  O  O30  1  0.500  0.000  0.889  1.0
  O  O31  1  0.500  0.000  0.389  1.0
  O  O32  1  0.000  0.000  0.099  1.0
  O  O33  1  0.500  0.500  0.599  1.0
  O  O34  1  0.500  0.500  0.401  1.0
  O  O35  1  0.000  0.000  0.901  1.0
  O  O36  1  0.000  0.000  0.377  1.0
  O  O37  1  0.500  0.500  0.877  1.0
  O  O38  1  0.500  0.500  0.123  1.0
  O  O39  1  0.000  0.000  0.623  1.0
  O  O40  1  0.303  0.303  0.291  1.0
  O  O41  1  0.197  0.803  0.791  1.0
  O  O42  1  0.803  0.197  0.791  1.0
  O  O43  1  0.803  0.197  0.209  1.0
  O  O44  1  0.197  0.803  0.209  1.0
  O  O45  1  0.697  0.697  0.291  1.0
  O  O46  1  0.303  0.303  0.709  1.0
  O  O47  1  0.697  0.697  0.709  1.0
[/CIF]
.
The structure described by BaGd2Mn2O7 crystallizes in the tetragonal P4_2/mnm space group. Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Gd(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(2), and three equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-23°. There are five inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms to form distorted OBa2Gd2Mn2 octahedra that share corners with four equivalent O(1)Ba4Mn2 octahedra,  an edgeedge with one O(3)Ba2Gd2Mn2 octahedra, and faces with two equivalent O(1)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms. In the third O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Gd(1) and one Mn(1) atom. In the fourth O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form distorted OBa4Mn2 octahedra that share corners with four equivalent O(3)Ba2Gd2Mn2 octahedra, corners with four equivalent O(1)Ba4Mn2 octahedra, edges with four equivalent O(1)Ba4Mn2 octahedra, and faces with two equivalent O(3)Ba2Gd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 5-59°. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Gd(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGd2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   5.561
_cell_length_c   19.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.218
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.246  0.246  0.000  1.0
  Ba  Ba1  1  0.254  0.746  0.500  1.0
  Ba  Ba2  1  0.746  0.254  0.500  1.0
  Ba  Ba3  1  0.754  0.754  0.000  1.0
  Gd  Gd4  1  0.228  0.228  0.183  1.0
  Gd  Gd5  1  0.272  0.728  0.683  1.0
  Gd  Gd6  1  0.728  0.272  0.683  1.0
  Gd  Gd7  1  0.728  0.272  0.317  1.0
  Gd  Gd8  1  0.272  0.728  0.317  1.0
  Gd  Gd9  1  0.772  0.772  0.183  1.0
  Gd  Gd10  1  0.228  0.228  0.817  1.0
  Gd  Gd11  1  0.772  0.772  0.817  1.0
  Mn  Mn12  1  0.247  0.247  0.398  1.0
  Mn  Mn13  1  0.253  0.747  0.898  1.0
  Mn  Mn14  1  0.747  0.253  0.898  1.0
  Mn  Mn15  1  0.747  0.253  0.102  1.0
  Mn  Mn16  1  0.253  0.747  0.102  1.0
  Mn  Mn17  1  0.753  0.753  0.398  1.0
  Mn  Mn18  1  0.247  0.247  0.602  1.0
  Mn  Mn19  1  0.753  0.753  0.602  1.0
  O  O20  1  0.268  0.732  0.000  1.0
  O  O21  1  0.768  0.768  0.500  1.0
  O  O22  1  0.232  0.232  0.500  1.0
  O  O23  1  0.732  0.268  0.000  1.0
  O  O24  1  0.000  0.500  0.389  1.0
  O  O25  1  0.000  0.500  0.889  1.0
  O  O26  1  0.500  0.000  0.111  1.0
  O  O27  1  0.500  0.000  0.611  1.0
  O  O28  1  0.000  0.500  0.611  1.0
  O  O29  1  0.000  0.500  0.111  1.0
  O  O30  1  0.500  0.000  0.889  1.0
  O  O31  1  0.500  0.000  0.389  1.0
  O  O32  1  0.000  0.000  0.099  1.0
  O  O33  1  0.500  0.500  0.599  1.0
  O  O34  1  0.500  0.500  0.401  1.0
  O  O35  1  0.000  0.000  0.901  1.0
  O  O36  1  0.000  0.000  0.377  1.0
  O  O37  1  0.500  0.500  0.877  1.0
  O  O38  1  0.500  0.500  0.123  1.0
  O  O39  1  0.000  0.000  0.623  1.0
  O  O40  1  0.303  0.303  0.291  1.0
  O  O41  1  0.197  0.803  0.791  1.0
  O  O42  1  0.803  0.197  0.791  1.0
  O  O43  1  0.803  0.197  0.209  1.0
  O  O44  1  0.197  0.803  0.209  1.0
  O  O45  1  0.697  0.697  0.291  1.0
  O  O46  1  0.303  0.303  0.709  1.0
  O  O47  1  0.697  0.697  0.709  1.0
[/CIF]
.