The material described by Ba2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), 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 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. 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 MnO5 trigonal bipyramids that share corners with four equivalent Mn(1)O5 trigonal bipyramids and corners with two equivalent Mn(3)O4 trigonal pyramids. 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 MnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 trigonal bipyramids and corners with two equivalent Mn(3)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with four equivalent Mn(3)O4 trigonal pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), and four equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to one O(2), one O(9), and four 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 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. 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 in a 6-coordinate geometry to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted 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 to two equivalent Ba(1) and two equivalent Mn(2) atoms to form distorted corner-sharing OBa2Mn2 trigonal pyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Tl(2), and four equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.786
_cell_length_c   18.176
_cell_angle_alpha   90.207
_cell_angle_beta   90.525
_cell_angle_gamma   90.148
_symmetry_Int_Tables_number   1
_cell_volume   260.383
_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  0.217  0.197  0.270  1.0
  Ba  Ba1  1  0.781  0.709  0.729  1.0
  Mn  Mn2  1  0.293  0.208  0.859  1.0
  Mn  Mn3  1  0.720  0.693  0.139  1.0
  Mn  Mn4  1  0.234  0.707  0.998  1.0
  Tl  Tl5  1  0.726  0.705  0.436  1.0
  Tl  Tl6  1  0.248  0.208  0.566  1.0
  O  O7  1  0.289  0.709  0.838  1.0
  O  O8  1  0.272  0.206  0.676  1.0
  O  O9  1  0.787  0.211  0.830  1.0
  O  O10  1  0.731  0.732  0.551  1.0
  O  O11  1  0.734  0.706  0.033  1.0
  O  O12  1  0.218  0.693  0.160  1.0
  O  O13  1  0.716  0.703  0.325  1.0
  O  O14  1  0.715  0.195  0.169  1.0
  O  O15  1  0.224  0.234  0.451  1.0
  O  O16  1  0.245  0.206  0.964  1.0
[/CIF]
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The material described by Ba2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), 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 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. 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 MnO5 trigonal bipyramids that share corners with four equivalent Mn(1)O5 trigonal bipyramids and corners with two equivalent Mn(3)O4 trigonal pyramids. 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 MnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 trigonal bipyramids and corners with two equivalent Mn(3)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with four equivalent Mn(3)O4 trigonal pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), and four equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to one O(2), one O(9), and four 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 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. 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 in a 6-coordinate geometry to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded in a distorted 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 to two equivalent Ba(1) and two equivalent Mn(2) atoms to form distorted corner-sharing OBa2Mn2 trigonal pyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Tl(2), and four equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mn3Tl2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.786
_cell_length_c   18.176
_cell_angle_alpha   90.207
_cell_angle_beta   90.525
_cell_angle_gamma   90.148
_symmetry_Int_Tables_number   1
_cell_volume   260.383
_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  0.217  0.197  0.270  1.0
  Ba  Ba1  1  0.781  0.709  0.729  1.0
  Mn  Mn2  1  0.293  0.208  0.859  1.0
  Mn  Mn3  1  0.720  0.693  0.139  1.0
  Mn  Mn4  1  0.234  0.707  0.998  1.0
  Tl  Tl5  1  0.726  0.705  0.436  1.0
  Tl  Tl6  1  0.248  0.208  0.566  1.0
  O  O7  1  0.289  0.709  0.838  1.0
  O  O8  1  0.272  0.206  0.676  1.0
  O  O9  1  0.787  0.211  0.830  1.0
  O  O10  1  0.731  0.732  0.551  1.0
  O  O11  1  0.734  0.706  0.033  1.0
  O  O12  1  0.218  0.693  0.160  1.0
  O  O13  1  0.716  0.703  0.325  1.0
  O  O14  1  0.715  0.195  0.169  1.0
  O  O15  1  0.224  0.234  0.451  1.0
  O  O16  1  0.245  0.206  0.964  1.0
[/CIF]
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