The structure described by Ba2LaMn2O7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(2)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Mn(1) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(2)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(2)Ba5Mn octahedra, edges with six equivalent O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Mn(2) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(3)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(3)Ba5Mn octahedra, edges with six equivalent O(2)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Mn(1), and one Mn(2) atom to form distorted OBa2La2Mn2 octahedra that share corners with three equivalent O(2)Ba5Mn octahedra, corners with three equivalent O(3)Ba5Mn octahedra, corners with eight equivalent O(4)Ba2La2Mn2 octahedra, edges with three equivalent O(4)Ba2La2Mn2 octahedra,  a faceface with one O(2)Ba5Mn octahedra,  a faceface with one O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-64°. is represented by the CIF card [CIF]
data_Ba2LaMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   4.013
_cell_length_c   10.800
_cell_angle_alpha   79.294
_cell_angle_beta   79.292
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.812
_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  0.319  0.319  0.362  1.0
  Ba  Ba1  1  0.681  0.681  0.638  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.093  0.093  0.814  1.0
  Mn  Mn4  1  0.907  0.907  0.186  1.0
  O  O5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.186  0.186  0.628  1.0
  O  O7  1  0.814  0.814  0.372  1.0
  O  O8  1  0.586  0.086  0.828  1.0
  O  O9  1  0.086  0.586  0.828  1.0
  O  O10  1  0.414  0.914  0.172  1.0
  O  O11  1  0.914  0.414  0.172  1.0
[/CIF]
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The structure described by Ba2LaMn2O7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(2)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Mn(1) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(2)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(2)Ba5Mn octahedra, edges with six equivalent O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Mn(2) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(3)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(3)Ba5Mn octahedra, edges with six equivalent O(2)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Mn(1), and one Mn(2) atom to form distorted OBa2La2Mn2 octahedra that share corners with three equivalent O(2)Ba5Mn octahedra, corners with three equivalent O(3)Ba5Mn octahedra, corners with eight equivalent O(4)Ba2La2Mn2 octahedra, edges with three equivalent O(4)Ba2La2Mn2 octahedra,  a faceface with one O(2)Ba5Mn octahedra,  a faceface with one O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-64°. is represented by the CIF card [CIF]
data_Ba2LaMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.013
_cell_length_b   4.013
_cell_length_c   10.800
_cell_angle_alpha   79.294
_cell_angle_beta   79.292
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.812
_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  0.319  0.319  0.362  1.0
  Ba  Ba1  1  0.681  0.681  0.638  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.093  0.093  0.814  1.0
  Mn  Mn4  1  0.907  0.907  0.186  1.0
  O  O5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.186  0.186  0.628  1.0
  O  O7  1  0.814  0.814  0.372  1.0
  O  O8  1  0.586  0.086  0.828  1.0
  O  O9  1  0.086  0.586  0.828  1.0
  O  O10  1  0.414  0.914  0.172  1.0
  O  O11  1  0.914  0.414  0.172  1.0
[/CIF]
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