The crystal structure described by Ba2Ca2Ni3Tl2O10 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 two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the third Ni site, Ni(3) is bonded in a rectangular see-saw-like 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 see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Ni(1) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(1)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(5)Ca4Ni2 octahedra,  an edgeedge with one O(10)Ca4Ni2 octahedra, edges with two equivalent O(1)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(3)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-65°. 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), two equivalent Ca(1), and two equivalent Ni(1) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(3)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(10)Ca4Ni2 octahedra,  an edgeedge with one O(5)Ca4Ni2 octahedra, edges with two equivalent O(3)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(1)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ni(3) atoms to form distorted OCa4Ni2 octahedra that share corners with two equivalent O(3)Ba2Ca2Ni2 octahedra, corners with two equivalent O(6)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(1)Ba2Ca2Ni2 octahedra, corners with four equivalent O(8)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(3)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(6)Ba2Ca2Ni2 octahedra, edges with two equivalent O(5)Ca4Ni2 octahedra, and faces with four equivalent O(10)Ca4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Ni(2) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(6)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(10)Ca4Ni2 octahedra,  an edgeedge with one O(5)Ca4Ni2 octahedra, edges with two equivalent O(6)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(8)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-65°. 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), two equivalent Ca(2), and two equivalent Ni(2) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(8)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(5)Ca4Ni2 octahedra,  an edgeedge with one O(10)Ca4Ni2 octahedra, edges with two equivalent O(8)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(6)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-70°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ni(3) atoms to form distorted OCa4Ni2 octahedra that share corners with two equivalent O(1)Ba2Ca2Ni2 octahedra, corners with two equivalent O(8)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(3)Ba2Ca2Ni2 octahedra, corners with four equivalent O(6)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(1)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(8)Ba2Ca2Ni2 octahedra, edges with two equivalent O(10)Ca4Ni2 octahedra, and faces with four equivalent O(5)Ca4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Ca2Tl2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   3.909
_cell_length_c   18.868
_cell_angle_alpha   95.780
_cell_angle_beta   95.663
_cell_angle_gamma   89.977
_symmetry_Int_Tables_number   1
_cell_volume   281.258
_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  0.836  0.905  0.719  1.0
  Ba  Ba1  1  0.167  0.205  0.282  1.0
  Ca  Ca2  1  0.063  0.120  0.088  1.0
  Ca  Ca3  1  0.936  0.014  0.913  1.0
  Tl  Tl4  1  0.278  0.358  0.563  1.0
  Tl  Tl5  1  0.728  0.800  0.438  1.0
  Ni  Ni6  1  0.613  0.657  0.172  1.0
  Ni  Ni7  1  0.388  0.466  0.829  1.0
  Ni  Ni8  1  0.491  0.576  0.002  1.0
  O  O9  1  0.115  0.659  0.177  1.0
  O  O10  1  0.687  0.716  0.327  1.0
  O  O11  1  0.609  0.155  0.169  1.0
  O  O12  1  0.233  0.180  0.452  1.0
  O  O13  1  0.481  0.072  0.994  1.0
  O  O14  1  0.383  0.963  0.822  1.0
  O  O15  1  0.318  0.375  0.673  1.0
  O  O16  1  0.890  0.471  0.834  1.0
  O  O17  1  0.773  0.726  0.549  1.0
  O  O18  1  0.992  0.581  0.007  1.0
[/CIF]
.
The crystal structure described by Ba2Ca2Ni3Tl2O10 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 two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the third Ni site, Ni(3) is bonded in a rectangular see-saw-like 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 see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Ni(1) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(1)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(5)Ca4Ni2 octahedra,  an edgeedge with one O(10)Ca4Ni2 octahedra, edges with two equivalent O(1)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(3)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-65°. 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), two equivalent Ca(1), and two equivalent Ni(1) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(3)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(10)Ca4Ni2 octahedra,  an edgeedge with one O(5)Ca4Ni2 octahedra, edges with two equivalent O(3)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(1)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ni(3) atoms to form distorted OCa4Ni2 octahedra that share corners with two equivalent O(3)Ba2Ca2Ni2 octahedra, corners with two equivalent O(6)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(1)Ba2Ca2Ni2 octahedra, corners with four equivalent O(8)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(3)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(6)Ba2Ca2Ni2 octahedra, edges with two equivalent O(5)Ca4Ni2 octahedra, and faces with four equivalent O(10)Ca4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. In the sixth O site, O(6) is bonded to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Ni(2) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(6)Ba2Ca2Ni2 octahedra, corners with two equivalent O(5)Ca4Ni2 octahedra, corners with four equivalent O(10)Ca4Ni2 octahedra,  an edgeedge with one O(5)Ca4Ni2 octahedra, edges with two equivalent O(6)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(8)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-65°. 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), two equivalent Ca(2), and two equivalent Ni(2) atoms to form distorted OBa2Ca2Ni2 octahedra that share corners with two equivalent O(8)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(5)Ca4Ni2 octahedra,  an edgeedge with one O(10)Ca4Ni2 octahedra, edges with two equivalent O(8)Ba2Ca2Ni2 octahedra, and faces with four equivalent O(6)Ba2Ca2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-70°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Ni(3) atoms to form distorted OCa4Ni2 octahedra that share corners with two equivalent O(1)Ba2Ca2Ni2 octahedra, corners with two equivalent O(8)Ba2Ca2Ni2 octahedra, corners with two equivalent O(10)Ca4Ni2 octahedra, corners with four equivalent O(3)Ba2Ca2Ni2 octahedra, corners with four equivalent O(6)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(1)Ba2Ca2Ni2 octahedra,  an edgeedge with one O(8)Ba2Ca2Ni2 octahedra, edges with two equivalent O(10)Ca4Ni2 octahedra, and faces with four equivalent O(5)Ca4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Ca2Tl2Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.852
_cell_length_b   3.909
_cell_length_c   18.868
_cell_angle_alpha   95.780
_cell_angle_beta   95.663
_cell_angle_gamma   89.977
_symmetry_Int_Tables_number   1
_cell_volume   281.258
_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  0.836  0.905  0.719  1.0
  Ba  Ba1  1  0.167  0.205  0.282  1.0
  Ca  Ca2  1  0.063  0.120  0.088  1.0
  Ca  Ca3  1  0.936  0.014  0.913  1.0
  Tl  Tl4  1  0.278  0.358  0.563  1.0
  Tl  Tl5  1  0.728  0.800  0.438  1.0
  Ni  Ni6  1  0.613  0.657  0.172  1.0
  Ni  Ni7  1  0.388  0.466  0.829  1.0
  Ni  Ni8  1  0.491  0.576  0.002  1.0
  O  O9  1  0.115  0.659  0.177  1.0
  O  O10  1  0.687  0.716  0.327  1.0
  O  O11  1  0.609  0.155  0.169  1.0
  O  O12  1  0.233  0.180  0.452  1.0
  O  O13  1  0.481  0.072  0.994  1.0
  O  O14  1  0.383  0.963  0.822  1.0
  O  O15  1  0.318  0.375  0.673  1.0
  O  O16  1  0.890  0.471  0.834  1.0
  O  O17  1  0.773  0.726  0.549  1.0
  O  O18  1  0.992  0.581  0.007  1.0
[/CIF]
.