The material described by Ba2MgMn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted corner-sharing MgO4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), 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(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar geometry to one O(9) and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(2) and two equivalent Mg(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(2) and two equivalent Mn(1) atoms to form distorted corner-sharing OBa2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Tl(2) atoms to form distorted corner-sharing OMg2Tl2 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Tl(2) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Ba2MgMn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.664
_cell_length_b   3.813
_cell_length_c   20.341
_cell_angle_alpha   85.692
_cell_angle_beta   86.599
_cell_angle_gamma   89.731
_symmetry_Int_Tables_number   1
_cell_volume   282.897
_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  0.187  0.154  0.254  1.0
  Ba  Ba1  1  0.806  0.815  0.763  1.0
  Mg  Mg2  1  0.799  0.365  0.637  1.0
  Mn  Mn3  1  0.267  0.270  0.879  1.0
  Mn  Mn4  1  0.727  0.702  0.131  1.0
  Mn  Mn5  1  0.268  0.725  1.000  1.0
  Tl  Tl6  1  0.637  0.531  0.403  1.0
  Tl  Tl7  1  0.308  0.824  0.523  1.0
  O  O8  1  0.273  0.775  0.865  1.0
  O  O9  1  0.291  0.348  0.688  1.0
  O  O10  1  0.779  0.281  0.847  1.0
  O  O11  1  0.820  0.889  0.595  1.0
  O  O12  1  0.756  0.718  0.035  1.0
  O  O13  1  0.220  0.694  0.153  1.0
  O  O14  1  0.672  0.643  0.299  1.0
  O  O15  1  0.719  0.191  0.156  1.0
  O  O16  1  0.117  0.177  0.424  1.0
  O  O17  1  0.272  0.236  0.973  1.0
[/CIF]
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The material described by Ba2MgMn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted corner-sharing MgO4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), 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(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted corner-sharing MnO5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal non-coplanar geometry to one O(9) and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(2) and two equivalent Mg(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(2) and two equivalent Mn(1) atoms to form distorted corner-sharing OBa2Mn2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Tl(2) atoms to form distorted corner-sharing OMg2Tl2 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Tl(2) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_Ba2MgMn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.664
_cell_length_b   3.813
_cell_length_c   20.341
_cell_angle_alpha   85.692
_cell_angle_beta   86.599
_cell_angle_gamma   89.731
_symmetry_Int_Tables_number   1
_cell_volume   282.897
_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  0.187  0.154  0.254  1.0
  Ba  Ba1  1  0.806  0.815  0.763  1.0
  Mg  Mg2  1  0.799  0.365  0.637  1.0
  Mn  Mn3  1  0.267  0.270  0.879  1.0
  Mn  Mn4  1  0.727  0.702  0.131  1.0
  Mn  Mn5  1  0.268  0.725  1.000  1.0
  Tl  Tl6  1  0.637  0.531  0.403  1.0
  Tl  Tl7  1  0.308  0.824  0.523  1.0
  O  O8  1  0.273  0.775  0.865  1.0
  O  O9  1  0.291  0.348  0.688  1.0
  O  O10  1  0.779  0.281  0.847  1.0
  O  O11  1  0.820  0.889  0.595  1.0
  O  O12  1  0.756  0.718  0.035  1.0
  O  O13  1  0.220  0.694  0.153  1.0
  O  O14  1  0.672  0.643  0.299  1.0
  O  O15  1  0.719  0.191  0.156  1.0
  O  O16  1  0.117  0.177  0.424  1.0
  O  O17  1  0.272  0.236  0.973  1.0
[/CIF]
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