The structure described by Ba2Mn5O10 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Mn site, Mn(2) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mn(3), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Ba2Mn5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   9.983
_cell_angle_alpha   87.518
_cell_angle_beta   87.518
_cell_angle_gamma   28.049
_symmetry_Int_Tables_number   1
_cell_volume   214.884
_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  0.255  0.255  0.187  1.0
  Ba  Ba1  1  0.745  0.745  0.813  1.0
  Mn  Mn2  1  0.849  0.849  0.505  1.0
  Mn  Mn3  1  0.151  0.151  0.495  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.505  0.505  0.261  1.0
  Mn  Mn6  1  0.495  0.495  0.739  1.0
  O  O7  1  0.927  0.927  0.665  1.0
  O  O8  1  0.073  0.073  0.335  1.0
  O  O9  1  0.591  0.591  0.088  1.0
  O  O10  1  0.409  0.409  0.912  1.0
  O  O11  1  0.733  0.733  0.393  1.0
  O  O12  1  0.267  0.267  0.607  1.0
  O  O13  1  0.594  0.594  0.592  1.0
  O  O14  1  0.406  0.406  0.408  1.0
  O  O15  1  0.922  0.922  0.166  1.0
  O  O16  1  0.078  0.078  0.834  1.0
[/CIF]
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The structure described by Ba2Mn5O10 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), two equivalent O(3), two equivalent O(5), and three equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the second Mn site, Mn(2) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Mn(1), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mn(3), and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1) and three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(3), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mn(2), and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Ba2Mn5O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   9.983
_cell_angle_alpha   87.518
_cell_angle_beta   87.518
_cell_angle_gamma   28.049
_symmetry_Int_Tables_number   1
_cell_volume   214.884
_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  0.255  0.255  0.187  1.0
  Ba  Ba1  1  0.745  0.745  0.813  1.0
  Mn  Mn2  1  0.849  0.849  0.505  1.0
  Mn  Mn3  1  0.151  0.151  0.495  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.505  0.505  0.261  1.0
  Mn  Mn6  1  0.495  0.495  0.739  1.0
  O  O7  1  0.927  0.927  0.665  1.0
  O  O8  1  0.073  0.073  0.335  1.0
  O  O9  1  0.591  0.591  0.088  1.0
  O  O10  1  0.409  0.409  0.912  1.0
  O  O11  1  0.733  0.733  0.393  1.0
  O  O12  1  0.267  0.267  0.607  1.0
  O  O13  1  0.594  0.594  0.592  1.0
  O  O14  1  0.406  0.406  0.408  1.0
  O  O15  1  0.922  0.922  0.166  1.0
  O  O16  1  0.078  0.078  0.834  1.0
[/CIF]
.