The material structure described by Ba2Mn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent As(1) atoms to form a mixture of edge and corner-sharing MnAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Mn(2) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2Mn3(AsO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   4.359
_cell_length_c   10.599
_cell_angle_alpha   101.865
_cell_angle_beta   101.865
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.666
_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  0.587  0.587  0.175  1.0
  Ba  Ba1  1  0.413  0.413  0.825  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.750  0.250  0.500  1.0
  Mn  Mn4  1  0.250  0.750  0.500  1.0
  As  As5  1  0.172  0.172  0.343  1.0
  As  As6  1  0.828  0.828  0.657  1.0
  O  O7  1  1.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
[/CIF]
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The material structure described by Ba2Mn3(AsO)2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to four equivalent As(1) atoms to form a mixture of edge and corner-sharing MnAs4 tetrahedra. As(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Mn(2) atoms. O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba2Mn3(AsO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.359
_cell_length_b   4.359
_cell_length_c   10.599
_cell_angle_alpha   101.865
_cell_angle_beta   101.865
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.666
_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  0.587  0.587  0.175  1.0
  Ba  Ba1  1  0.413  0.413  0.825  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.750  0.250  0.500  1.0
  Mn  Mn4  1  0.250  0.750  0.500  1.0
  As  As5  1  0.172  0.172  0.343  1.0
  As  As6  1  0.828  0.828  0.657  1.0
  O  O7  1  1.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
[/CIF]
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