The structure described by TbBaMn2O6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), two equivalent O(3), two equivalent O(9), and three equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(4)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), two equivalent O(10), two equivalent O(4), and three equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Mn(4)O6 octahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), and two equivalent O(9) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(10), two equivalent O(4), and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the third Mn site, Mn(3) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(3) atom to form distorted OBa2Tb2Mn2 octahedra that share corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(3)Ba2Tb2Mn2 octahedra, and faces with two equivalent O(5)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Tb(2), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(3) atom to form distorted OBa4Mn2 octahedra that share corners with two equivalent O(10)Ba2Tb2Mn2 octahedra, corners with two equivalent O(3)Ba2Tb2Mn2 octahedra, corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(5)Ba4Mn2 octahedra, edges with two equivalent O(6)Ba4Mn2 octahedra, and faces with two equivalent O(3)Ba2Tb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the sixth O site, O(6) is bonded to one Ba(1), three equivalent Ba(2), one Mn(2), and one Mn(4) atom to form distorted OBa4Mn2 octahedra that share corners with two equivalent O(10)Ba2Tb2Mn2 octahedra, corners with two equivalent O(3)Ba2Tb2Mn2 octahedra, corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(5)Ba4Mn2 octahedra, edges with two equivalent O(6)Ba4Mn2 octahedra, and faces with two equivalent O(10)Ba2Tb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Tb(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(3) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(2), two equivalent Tb(2), one Mn(2), and one Mn(4) atom to form distorted OBa2Tb2Mn2 octahedra that share corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(10)Ba2Tb2Mn2 octahedra, and faces with two equivalent O(6)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_BaTbMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   7.790
_cell_length_c   11.144
_cell_angle_alpha   89.998
_cell_angle_beta   89.896
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   484.653
_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  0.748  0.998  0.125  1.0
  Ba  Ba1  1  0.252  0.002  0.875  1.0
  Ba  Ba2  1  0.747  0.998  0.626  1.0
  Ba  Ba3  1  0.253  0.002  0.374  1.0
  Tb  Tb4  1  0.730  0.497  0.129  1.0
  Tb  Tb5  1  0.270  0.503  0.871  1.0
  Tb  Tb6  1  0.778  0.496  0.621  1.0
  Tb  Tb7  1  0.222  0.504  0.379  1.0
  Mn  Mn8  1  0.251  0.260  0.125  1.0
  Mn  Mn9  1  0.749  0.740  0.875  1.0
  Mn  Mn10  1  0.249  0.255  0.624  1.0
  Mn  Mn11  1  0.751  0.745  0.376  1.0
  Mn  Mn12  1  0.249  0.742  0.125  1.0
  Mn  Mn13  1  0.751  0.258  0.875  1.0
  Mn  Mn14  1  0.251  0.746  0.624  1.0
  Mn  Mn15  1  0.749  0.254  0.376  1.0
  O  O16  1  0.518  0.275  0.251  1.0
  O  O17  1  0.482  0.725  0.749  1.0
  O  O18  1  0.484  0.276  0.747  1.0
  O  O19  1  0.516  0.724  0.253  1.0
  O  O20  1  0.508  0.270  0.002  1.0
  O  O21  1  0.492  0.730  0.998  1.0
  O  O22  1  0.493  0.281  0.499  1.0
  O  O23  1  0.507  0.719  0.501  1.0
  O  O24  1  0.237  0.000  0.124  1.0
  O  O25  1  0.763  1.000  0.876  1.0
  O  O26  1  0.245  0.000  0.627  1.0
  O  O27  1  0.755  1.000  0.373  1.0
  O  O28  1  0.304  0.501  0.134  1.0
  O  O29  1  0.696  0.499  0.866  1.0
  O  O30  1  0.210  0.500  0.610  1.0
  O  O31  1  0.790  0.500  0.390  1.0
  O  O32  1  0.007  0.302  0.000  1.0
  O  O33  1  0.993  0.698  1.000  1.0
  O  O34  1  0.991  0.263  0.503  1.0
  O  O35  1  0.009  0.737  0.497  1.0
  O  O36  1  0.009  0.290  0.250  1.0
  O  O37  1  0.991  0.710  0.750  1.0
  O  O38  1  0.993  0.289  0.751  1.0
  O  O39  1  0.007  0.711  0.249  1.0
[/CIF]
.
The structure described by TbBaMn2O6 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), two equivalent O(3), two equivalent O(9), and three equivalent O(5) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(4)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Mn(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), two equivalent O(10), two equivalent O(4), and three equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Mn(4)O6 octahedra. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), and two equivalent O(9) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(10), two equivalent O(4), and two equivalent O(8) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the third Mn site, Mn(3) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(1), and one Mn(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(3) atom to form distorted OBa2Tb2Mn2 octahedra that share corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(3)Ba2Tb2Mn2 octahedra, and faces with two equivalent O(5)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Tb(2), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Ba(2), three equivalent Ba(1), one Mn(1), and one Mn(3) atom to form distorted OBa4Mn2 octahedra that share corners with two equivalent O(10)Ba2Tb2Mn2 octahedra, corners with two equivalent O(3)Ba2Tb2Mn2 octahedra, corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(5)Ba4Mn2 octahedra, edges with two equivalent O(6)Ba4Mn2 octahedra, and faces with two equivalent O(3)Ba2Tb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the sixth O site, O(6) is bonded to one Ba(1), three equivalent Ba(2), one Mn(2), and one Mn(4) atom to form distorted OBa4Mn2 octahedra that share corners with two equivalent O(10)Ba2Tb2Mn2 octahedra, corners with two equivalent O(3)Ba2Tb2Mn2 octahedra, corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(5)Ba4Mn2 octahedra, edges with two equivalent O(6)Ba4Mn2 octahedra, and faces with two equivalent O(10)Ba2Tb2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent Tb(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(3) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(2), two equivalent Tb(2), one Mn(2), and one Mn(4) atom to form distorted OBa2Tb2Mn2 octahedra that share corners with two equivalent O(5)Ba4Mn2 octahedra, corners with two equivalent O(6)Ba4Mn2 octahedra, edges with two equivalent O(10)Ba2Tb2Mn2 octahedra, and faces with two equivalent O(6)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Tb(1), one Tb(2), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_BaTbMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   7.790
_cell_length_c   11.144
_cell_angle_alpha   89.998
_cell_angle_beta   89.896
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   484.653
_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  0.748  0.998  0.125  1.0
  Ba  Ba1  1  0.252  0.002  0.875  1.0
  Ba  Ba2  1  0.747  0.998  0.626  1.0
  Ba  Ba3  1  0.253  0.002  0.374  1.0
  Tb  Tb4  1  0.730  0.497  0.129  1.0
  Tb  Tb5  1  0.270  0.503  0.871  1.0
  Tb  Tb6  1  0.778  0.496  0.621  1.0
  Tb  Tb7  1  0.222  0.504  0.379  1.0
  Mn  Mn8  1  0.251  0.260  0.125  1.0
  Mn  Mn9  1  0.749  0.740  0.875  1.0
  Mn  Mn10  1  0.249  0.255  0.624  1.0
  Mn  Mn11  1  0.751  0.745  0.376  1.0
  Mn  Mn12  1  0.249  0.742  0.125  1.0
  Mn  Mn13  1  0.751  0.258  0.875  1.0
  Mn  Mn14  1  0.251  0.746  0.624  1.0
  Mn  Mn15  1  0.749  0.254  0.376  1.0
  O  O16  1  0.518  0.275  0.251  1.0
  O  O17  1  0.482  0.725  0.749  1.0
  O  O18  1  0.484  0.276  0.747  1.0
  O  O19  1  0.516  0.724  0.253  1.0
  O  O20  1  0.508  0.270  0.002  1.0
  O  O21  1  0.492  0.730  0.998  1.0
  O  O22  1  0.493  0.281  0.499  1.0
  O  O23  1  0.507  0.719  0.501  1.0
  O  O24  1  0.237  0.000  0.124  1.0
  O  O25  1  0.763  1.000  0.876  1.0
  O  O26  1  0.245  0.000  0.627  1.0
  O  O27  1  0.755  1.000  0.373  1.0
  O  O28  1  0.304  0.501  0.134  1.0
  O  O29  1  0.696  0.499  0.866  1.0
  O  O30  1  0.210  0.500  0.610  1.0
  O  O31  1  0.790  0.500  0.390  1.0
  O  O32  1  0.007  0.302  0.000  1.0
  O  O33  1  0.993  0.698  1.000  1.0
  O  O34  1  0.991  0.263  0.503  1.0
  O  O35  1  0.009  0.737  0.497  1.0
  O  O36  1  0.009  0.290  0.250  1.0
  O  O37  1  0.991  0.710  0.750  1.0
  O  O38  1  0.993  0.289  0.751  1.0
  O  O39  1  0.007  0.711  0.249  1.0
[/CIF]
.