The material described by BaMgMn2O5 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Mg(1) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-71°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form distorted OBa4Mn2 octahedra that share corners with four equivalent O(1)Ba4Mn2 octahedra, corners with three equivalent O(3)Mg2Mn3 trigonal bipyramids, corners with four equivalent O(5)Ba2MgMn2 trigonal bipyramids, edges with four equivalent O(1)Ba4Mn2 octahedra, and faces with two equivalent O(5)Ba2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OMg2Mn3 trigonal bipyramids that share corners with three equivalent O(1)Ba4Mn2 octahedra, corners with four equivalent O(3)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Ba2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-71°. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and two equivalent Mn(2) atoms to form distorted OBa2MgMn2 trigonal bipyramids that share corners with four equivalent O(1)Ba4Mn2 octahedra, corners with four equivalent O(5)Ba2MgMn2 trigonal bipyramids, edges with two equivalent O(3)Mg2Mn3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_BaMgMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   4.149
_cell_length_c   7.330
_cell_angle_alpha   90.000
_cell_angle_beta   105.405
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.220
_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  0.965  0.000  0.945  1.0
  Mg  Mg1  1  0.202  0.000  0.419  1.0
  Mn  Mn2  1  0.635  0.500  0.284  1.0
  Mn  Mn3  1  0.345  0.500  0.704  1.0
  O  O4  1  0.485  0.500  0.986  1.0
  O  O5  1  0.832  0.500  0.678  1.0
  O  O6  1  0.183  0.500  0.379  1.0
  O  O7  1  0.642  0.000  0.298  1.0
  O  O8  1  0.339  0.000  0.693  1.0
[/CIF]
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The material described by BaMgMn2O5 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Mg(1) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-71°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Mn(2) atom to form distorted OBa4Mn2 octahedra that share corners with four equivalent O(1)Ba4Mn2 octahedra, corners with three equivalent O(3)Mg2Mn3 trigonal bipyramids, corners with four equivalent O(5)Ba2MgMn2 trigonal bipyramids, edges with four equivalent O(1)Ba4Mn2 octahedra, and faces with two equivalent O(5)Ba2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form OMg2Mn3 trigonal bipyramids that share corners with three equivalent O(1)Ba4Mn2 octahedra, corners with four equivalent O(3)Mg2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Ba2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-71°. In the fourth O site, O(4) is bonded in a see-saw-like geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and two equivalent Mn(2) atoms to form distorted OBa2MgMn2 trigonal bipyramids that share corners with four equivalent O(1)Ba4Mn2 octahedra, corners with four equivalent O(5)Ba2MgMn2 trigonal bipyramids, edges with two equivalent O(3)Mg2Mn3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Mn2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_BaMgMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.896
_cell_length_b   4.149
_cell_length_c   7.330
_cell_angle_alpha   90.000
_cell_angle_beta   105.405
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.220
_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  0.965  0.000  0.945  1.0
  Mg  Mg1  1  0.202  0.000  0.419  1.0
  Mn  Mn2  1  0.635  0.500  0.284  1.0
  Mn  Mn3  1  0.345  0.500  0.704  1.0
  O  O4  1  0.485  0.500  0.986  1.0
  O  O5  1  0.832  0.500  0.678  1.0
  O  O6  1  0.183  0.500  0.379  1.0
  O  O7  1  0.642  0.000  0.298  1.0
  O  O8  1  0.339  0.000  0.693  1.0
[/CIF]
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