The compound described by Ba2Tb2Mn4O11 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-22°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Tb(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Ba2Tb2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.611
_cell_length_b   9.611
_cell_length_c   9.611
_cell_angle_alpha   132.939
_cell_angle_beta   129.091
_cell_angle_gamma   71.834
_symmetry_Int_Tables_number   1
_cell_volume   493.447
_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
  Ba  Ba0  1  0.499  0.751  0.748  1.0
  Ba  Ba1  1  0.501  0.249  0.252  1.0
  Ba  Ba2  1  0.003  0.251  0.752  1.0
  Ba  Ba3  1  0.997  0.749  0.248  1.0
  Tb  Tb4  1  0.280  0.504  0.776  1.0
  Tb  Tb5  1  0.720  0.496  0.224  1.0
  Tb  Tb6  1  0.727  0.004  0.724  1.0
  Tb  Tb7  1  0.273  0.996  0.276  1.0
  Mn  Mn8  1  0.114  0.364  0.250  1.0
  Mn  Mn9  1  0.886  0.136  0.250  1.0
  Mn  Mn10  1  0.886  0.636  0.750  1.0
  Mn  Mn11  1  0.114  0.864  0.750  1.0
  Mn  Mn12  1  0.376  0.626  0.250  1.0
  Mn  Mn13  1  0.624  0.874  0.250  1.0
  Mn  Mn14  1  0.624  0.374  0.750  1.0
  Mn  Mn15  1  0.376  0.126  0.750  1.0
  O  O16  1  0.331  0.316  0.448  1.0
  O  O17  1  0.669  0.117  0.984  1.0
  O  O18  1  0.868  0.383  0.052  1.0
  O  O19  1  0.132  0.184  0.516  1.0
  O  O20  1  0.669  0.684  0.552  1.0
  O  O21  1  0.331  0.883  0.016  1.0
  O  O22  1  0.132  0.617  0.948  1.0
  O  O23  1  0.868  0.816  0.484  1.0
  O  O24  1  0.251  0.501  0.250  1.0
  O  O25  1  0.749  0.999  0.250  1.0
  O  O26  1  0.749  0.499  0.750  1.0
  O  O27  1  0.251  0.001  0.750  1.0
  O  O28  1  0.135  0.591  0.544  1.0
  O  O29  1  0.865  0.409  0.456  1.0
  O  O30  1  0.047  0.091  0.956  1.0
  O  O31  1  0.953  0.909  0.044  1.0
  O  O32  1  0.356  0.885  0.470  1.0
  O  O33  1  0.644  0.115  0.530  1.0
  O  O34  1  0.415  0.385  0.030  1.0
  O  O35  1  0.585  0.615  0.970  1.0
  O  O36  1  0.500  0.750  0.250  1.0
  O  O37  1  0.500  0.250  0.750  1.0
[/CIF]
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The compound described by Ba2Tb2Mn4O11 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. Tb(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with three equivalent Mn(2)O6 octahedra and corners with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-22°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with three equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-17°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Tb(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Tb(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Tb(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Ba2Tb2Mn4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.611
_cell_length_b   9.611
_cell_length_c   9.611
_cell_angle_alpha   132.939
_cell_angle_beta   129.091
_cell_angle_gamma   71.834
_symmetry_Int_Tables_number   1
_cell_volume   493.447
_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
  Ba  Ba0  1  0.499  0.751  0.748  1.0
  Ba  Ba1  1  0.501  0.249  0.252  1.0
  Ba  Ba2  1  0.003  0.251  0.752  1.0
  Ba  Ba3  1  0.997  0.749  0.248  1.0
  Tb  Tb4  1  0.280  0.504  0.776  1.0
  Tb  Tb5  1  0.720  0.496  0.224  1.0
  Tb  Tb6  1  0.727  0.004  0.724  1.0
  Tb  Tb7  1  0.273  0.996  0.276  1.0
  Mn  Mn8  1  0.114  0.364  0.250  1.0
  Mn  Mn9  1  0.886  0.136  0.250  1.0
  Mn  Mn10  1  0.886  0.636  0.750  1.0
  Mn  Mn11  1  0.114  0.864  0.750  1.0
  Mn  Mn12  1  0.376  0.626  0.250  1.0
  Mn  Mn13  1  0.624  0.874  0.250  1.0
  Mn  Mn14  1  0.624  0.374  0.750  1.0
  Mn  Mn15  1  0.376  0.126  0.750  1.0
  O  O16  1  0.331  0.316  0.448  1.0
  O  O17  1  0.669  0.117  0.984  1.0
  O  O18  1  0.868  0.383  0.052  1.0
  O  O19  1  0.132  0.184  0.516  1.0
  O  O20  1  0.669  0.684  0.552  1.0
  O  O21  1  0.331  0.883  0.016  1.0
  O  O22  1  0.132  0.617  0.948  1.0
  O  O23  1  0.868  0.816  0.484  1.0
  O  O24  1  0.251  0.501  0.250  1.0
  O  O25  1  0.749  0.999  0.250  1.0
  O  O26  1  0.749  0.499  0.750  1.0
  O  O27  1  0.251  0.001  0.750  1.0
  O  O28  1  0.135  0.591  0.544  1.0
  O  O29  1  0.865  0.409  0.456  1.0
  O  O30  1  0.047  0.091  0.956  1.0
  O  O31  1  0.953  0.909  0.044  1.0
  O  O32  1  0.356  0.885  0.470  1.0
  O  O33  1  0.644  0.115  0.530  1.0
  O  O34  1  0.415  0.385  0.030  1.0
  O  O35  1  0.585  0.615  0.970  1.0
  O  O36  1  0.500  0.750  0.250  1.0
  O  O37  1  0.500  0.250  0.750  1.0
[/CIF]
.