The material described by Ba2Mg2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing MnO5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted corner-sharing MnO4 trigonal pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4) and four equivalent O(9) atoms to form a mixture of edge and corner-sharing TlO5 square pyramids. In the second Tl site, Tl(2) is bonded to one O(9) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TlO5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2) and one Mn(1) atom to form distorted OBa4Mn square pyramids that share corners with four equivalent O(4)BaTl5 octahedra, corners with four equivalent O(2)Ba4Mn square pyramids, and edges with four equivalent O(2)Ba4Mn square pyramids. The corner-sharing octahedral tilt angles range from 72-85°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms to form OBaTl5 octahedra that share corners with four equivalent O(4)BaTl5 octahedra, corners with four equivalent O(2)Ba4Mn square pyramids, edges with four equivalent O(4)BaTl5 octahedra, and edges with four equivalent O(9)BaTl5 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(5) is bonded to two equivalent Mg(2) and two equivalent Mn(3) atoms to form distorted corner-sharing OMg2Mn2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1) and one Mn(2) atom to form distorted OBa4Mn square pyramids that share corners with four equivalent O(9)BaTl5 octahedra, corners with four equivalent O(7)Ba4Mn square pyramids, and edges with four equivalent O(7)Ba4Mn square pyramids. The corner-sharing octahedral tilt angles range from 77-83°. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Mg(2) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Tl(2), and four equivalent Tl(1) atoms to form OBaTl5 octahedra that share corners with four equivalent O(9)BaTl5 octahedra, corners with four equivalent O(7)Ba4Mn square pyramids, edges with four equivalent O(4)BaTl5 octahedra, and edges with four equivalent O(9)BaTl5 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the tenth O site, O(10) is bonded to two equivalent Mg(1) and two equivalent Mn(3) atoms to form distorted corner-sharing OMg2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_Ba2Mg2Mn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.750
_cell_length_b   3.759
_cell_length_c   20.296
_cell_angle_alpha   94.061
_cell_angle_beta   94.801
_cell_angle_gamma   89.869
_symmetry_Int_Tables_number   1
_cell_volume   284.411
_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  0.870  0.811  0.701  1.0
  Ba  Ba1  1  0.125  0.090  0.302  1.0
  Mg  Mg2  1  0.038  0.001  0.099  1.0
  Mg  Mg3  1  0.968  0.881  0.904  1.0
  Mn  Mn4  1  0.570  0.537  0.179  1.0
  Mn  Mn5  1  0.434  0.354  0.822  1.0
  Mn  Mn6  1  0.504  0.405  0.999  1.0
  Tl  Tl7  1  0.277  0.250  0.558  1.0
  Tl  Tl8  1  0.717  0.698  0.445  1.0
  O  O9  1  0.065  0.532  0.167  1.0
  O  O10  1  0.612  0.574  0.276  1.0
  O  O11  1  0.550  0.014  0.128  1.0
  O  O12  1  0.212  0.224  0.435  1.0
  O  O13  1  0.494  0.894  0.968  1.0
  O  O14  1  0.448  0.858  0.832  1.0
  O  O15  1  0.383  0.320  0.725  1.0
  O  O16  1  0.961  0.371  0.873  1.0
  O  O17  1  0.782  0.784  0.567  1.0
  O  O18  1  0.017  0.411  0.029  1.0
[/CIF]
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The material described by Ba2Mg2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(9) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing MnO5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted corner-sharing MnO4 trigonal pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4) and four equivalent O(9) atoms to form a mixture of edge and corner-sharing TlO5 square pyramids. In the second Tl site, Tl(2) is bonded to one O(9) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TlO5 square pyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2) and one Mn(1) atom to form distorted OBa4Mn square pyramids that share corners with four equivalent O(4)BaTl5 octahedra, corners with four equivalent O(2)Ba4Mn square pyramids, and edges with four equivalent O(2)Ba4Mn square pyramids. The corner-sharing octahedral tilt angles range from 72-85°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms to form OBaTl5 octahedra that share corners with four equivalent O(4)BaTl5 octahedra, corners with four equivalent O(2)Ba4Mn square pyramids, edges with four equivalent O(4)BaTl5 octahedra, and edges with four equivalent O(9)BaTl5 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(5) is bonded to two equivalent Mg(2) and two equivalent Mn(3) atoms to form distorted corner-sharing OMg2Mn2 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1) and one Mn(2) atom to form distorted OBa4Mn square pyramids that share corners with four equivalent O(9)BaTl5 octahedra, corners with four equivalent O(7)Ba4Mn square pyramids, and edges with four equivalent O(7)Ba4Mn square pyramids. The corner-sharing octahedral tilt angles range from 77-83°. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Mg(2) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Tl(2), and four equivalent Tl(1) atoms to form OBaTl5 octahedra that share corners with four equivalent O(9)BaTl5 octahedra, corners with four equivalent O(7)Ba4Mn square pyramids, edges with four equivalent O(4)BaTl5 octahedra, and edges with four equivalent O(9)BaTl5 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the tenth O site, O(10) is bonded to two equivalent Mg(1) and two equivalent Mn(3) atoms to form distorted corner-sharing OMg2Mn2 tetrahedra. is represented by the CIF file [CIF]
data_Ba2Mg2Mn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.750
_cell_length_b   3.759
_cell_length_c   20.296
_cell_angle_alpha   94.061
_cell_angle_beta   94.801
_cell_angle_gamma   89.869
_symmetry_Int_Tables_number   1
_cell_volume   284.411
_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  0.870  0.811  0.701  1.0
  Ba  Ba1  1  0.125  0.090  0.302  1.0
  Mg  Mg2  1  0.038  0.001  0.099  1.0
  Mg  Mg3  1  0.968  0.881  0.904  1.0
  Mn  Mn4  1  0.570  0.537  0.179  1.0
  Mn  Mn5  1  0.434  0.354  0.822  1.0
  Mn  Mn6  1  0.504  0.405  0.999  1.0
  Tl  Tl7  1  0.277  0.250  0.558  1.0
  Tl  Tl8  1  0.717  0.698  0.445  1.0
  O  O9  1  0.065  0.532  0.167  1.0
  O  O10  1  0.612  0.574  0.276  1.0
  O  O11  1  0.550  0.014  0.128  1.0
  O  O12  1  0.212  0.224  0.435  1.0
  O  O13  1  0.494  0.894  0.968  1.0
  O  O14  1  0.448  0.858  0.832  1.0
  O  O15  1  0.383  0.320  0.725  1.0
  O  O16  1  0.961  0.371  0.873  1.0
  O  O17  1  0.782  0.784  0.567  1.0
  O  O18  1  0.017  0.411  0.029  1.0
[/CIF]
.