The structure described by BaMn2P2O9 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(3), and four equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 pentagonal pyramids and  an edgeedge with one Mn(1)O6 pentagonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaMn2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.234
_cell_length_c   8.399
_cell_angle_alpha   83.721
_cell_angle_beta   83.721
_cell_angle_gamma   58.151
_symmetry_Int_Tables_number   1
_cell_volume   193.904
_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  0.894  0.106  0.000  1.0
  Mn  Mn1  1  0.282  0.430  0.632  1.0
  Mn  Mn2  1  0.570  0.718  0.368  1.0
  P  P3  1  0.220  0.445  0.262  1.0
  P  P4  1  0.555  0.780  0.738  1.0
  O  O5  1  0.610  0.390  0.500  1.0
  O  O6  1  0.065  0.533  0.434  1.0
  O  O7  1  0.467  0.935  0.566  1.0
  O  O8  1  0.357  0.645  0.201  1.0
  O  O9  1  0.355  0.643  0.799  1.0
  O  O10  1  0.956  0.526  0.161  1.0
  O  O11  1  0.474  0.044  0.839  1.0
  O  O12  1  0.890  0.523  0.752  1.0
  O  O13  1  0.477  0.110  0.248  1.0
[/CIF]
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The structure described by BaMn2P2O9 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(3), and four equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 pentagonal pyramids and  an edgeedge with one Mn(1)O6 pentagonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_BaMn2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.234
_cell_length_b   5.234
_cell_length_c   8.399
_cell_angle_alpha   83.721
_cell_angle_beta   83.721
_cell_angle_gamma   58.151
_symmetry_Int_Tables_number   1
_cell_volume   193.904
_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  0.894  0.106  0.000  1.0
  Mn  Mn1  1  0.282  0.430  0.632  1.0
  Mn  Mn2  1  0.570  0.718  0.368  1.0
  P  P3  1  0.220  0.445  0.262  1.0
  P  P4  1  0.555  0.780  0.738  1.0
  O  O5  1  0.610  0.390  0.500  1.0
  O  O6  1  0.065  0.533  0.434  1.0
  O  O7  1  0.467  0.935  0.566  1.0
  O  O8  1  0.357  0.645  0.201  1.0
  O  O9  1  0.355  0.643  0.799  1.0
  O  O10  1  0.956  0.526  0.161  1.0
  O  O11  1  0.474  0.044  0.839  1.0
  O  O12  1  0.890  0.523  0.752  1.0
  O  O13  1  0.477  0.110  0.248  1.0
[/CIF]
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