The material described by BaMgNdMn2O6 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. Mg(1) is bonded to one O(4) and four equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. Nd(1) is bonded in a 7-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), and four equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Mn(1) atoms to form distorted OMg2Mn2 trigonal pyramids that share corners with two equivalent O(4)Ba4MgMn octahedra, corners with four equivalent O(2)Mg2Mn2 trigonal pyramids, and edges with four equivalent O(2)Mg2Mn2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Mg(1), and one Mn(2) atom to form distorted OBa4MgMn octahedra that share corners with four equivalent O(4)Ba4MgMn octahedra, corners with four equivalent O(2)Mg2Mn2 trigonal pyramids, and edges with four equivalent O(4)Ba4MgMn octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNdMgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.946
_cell_length_b   3.946
_cell_length_c   10.309
_cell_angle_alpha   78.377
_cell_angle_beta   78.377
_cell_angle_gamma   89.883
_symmetry_Int_Tables_number   1
_cell_volume   153.861
_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
  Ba  Ba0  1  0.819  0.819  0.459  1.0
  Nd  Nd1  1  0.053  0.053  0.071  1.0
  Mg  Mg2  1  0.210  0.210  0.674  1.0
  Mn  Mn3  1  0.646  0.646  0.799  1.0
  Mn  Mn4  1  0.435  0.435  0.250  1.0
  O  O5  1  0.509  0.509  0.008  1.0
  O  O6  1  0.181  0.679  0.732  1.0
  O  O7  1  0.679  0.181  0.732  1.0
  O  O8  1  0.947  0.455  0.222  1.0
  O  O9  1  0.315  0.315  0.470  1.0
  O  O10  1  0.455  0.947  0.222  1.0
[/CIF]
.
The material described by BaMgNdMn2O6 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. Mg(1) is bonded to one O(4) and four equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. Nd(1) is bonded in a 7-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), and four equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Mn(1) atoms to form distorted OMg2Mn2 trigonal pyramids that share corners with two equivalent O(4)Ba4MgMn octahedra, corners with four equivalent O(2)Mg2Mn2 trigonal pyramids, and edges with four equivalent O(2)Mg2Mn2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Ba(1), one Mg(1), and one Mn(2) atom to form distorted OBa4MgMn octahedra that share corners with four equivalent O(4)Ba4MgMn octahedra, corners with four equivalent O(2)Mg2Mn2 trigonal pyramids, and edges with four equivalent O(4)Ba4MgMn octahedra. The corner-sharing octahedral tilt angles are 4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNdMgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.946
_cell_length_b   3.946
_cell_length_c   10.309
_cell_angle_alpha   78.377
_cell_angle_beta   78.377
_cell_angle_gamma   89.883
_symmetry_Int_Tables_number   1
_cell_volume   153.861
_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
  Ba  Ba0  1  0.819  0.819  0.459  1.0
  Nd  Nd1  1  0.053  0.053  0.071  1.0
  Mg  Mg2  1  0.210  0.210  0.674  1.0
  Mn  Mn3  1  0.646  0.646  0.799  1.0
  Mn  Mn4  1  0.435  0.435  0.250  1.0
  O  O5  1  0.509  0.509  0.008  1.0
  O  O6  1  0.181  0.679  0.732  1.0
  O  O7  1  0.679  0.181  0.732  1.0
  O  O8  1  0.947  0.455  0.222  1.0
  O  O9  1  0.315  0.315  0.470  1.0
  O  O10  1  0.455  0.947  0.222  1.0
[/CIF]
.