The material structure described by Ba6Sm3Al(Cu2O5)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), two equivalent O(10), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), one O(8), one O(9), two equivalent O(4), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(1), one O(10), and one O(3) atom. Al(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(1), and one Cu(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(2), and one Al(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Sm(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(3), two equivalent Sm(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(4), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba6Sm3Al(Cu2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   8.675
_cell_length_c   12.674
_cell_angle_alpha   74.325
_cell_angle_beta   77.787
_cell_angle_gamma   73.285
_symmetry_Int_Tables_number   1
_cell_volume   556.415
_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  0.938  0.438  0.187  1.0
  Ba  Ba1  1  0.611  0.106  0.192  1.0
  Ba  Ba2  1  0.262  0.767  0.192  1.0
  Ba  Ba3  1  0.738  0.233  0.808  1.0
  Ba  Ba4  1  0.389  0.894  0.808  1.0
  Ba  Ba5  1  0.062  0.562  0.813  1.0
  Sm  Sm6  1  0.834  0.333  0.499  1.0
  Sm  Sm7  1  0.500  0.000  0.500  1.0
  Sm  Sm8  1  0.166  0.667  0.501  1.0
  Al  Al9  1  0.500  0.500  0.000  1.0
  Cu  Cu10  1  0.712  0.714  0.358  1.0
  Cu  Cu11  1  0.381  0.381  0.359  1.0
  Cu  Cu12  1  0.049  0.047  0.357  1.0
  Cu  Cu13  1  0.619  0.619  0.641  1.0
  Cu  Cu14  1  0.288  0.286  0.642  1.0
  Cu  Cu15  1  0.951  0.953  0.643  1.0
  Cu  Cu16  1  0.867  0.815  1.000  1.0
  Cu  Cu17  1  0.133  0.185  0.000  1.0
  O  O18  1  0.757  0.793  0.150  1.0
  O  O19  1  0.450  0.450  0.150  1.0
  O  O20  1  0.142  0.107  0.150  1.0
  O  O21  1  0.550  0.550  0.850  1.0
  O  O22  1  0.243  0.207  0.850  1.0
  O  O23  1  0.858  0.893  0.850  1.0
  O  O24  1  0.540  0.540  0.377  1.0
  O  O25  1  0.208  0.208  0.377  1.0
  O  O26  1  0.874  0.874  0.377  1.0
  O  O27  1  0.042  0.543  0.373  1.0
  O  O28  1  0.709  0.209  0.373  1.0
  O  O29  1  0.375  0.875  0.375  1.0
  O  O30  1  0.460  0.460  0.623  1.0
  O  O31  1  0.126  0.126  0.623  1.0
  O  O32  1  0.792  0.792  0.623  1.0
  O  O33  1  0.958  0.457  0.626  1.0
  O  O34  1  0.625  0.125  0.625  1.0
  O  O35  1  0.291  0.791  0.627  1.0
  O  O36  1  0.191  0.657  0.000  1.0
  O  O37  1  0.809  0.343  1.000  1.0
[/CIF]
.
The material structure described by Ba6Sm3Al(Cu2O5)4 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), two equivalent O(10), and two equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), one O(8), one O(9), two equivalent O(4), and two equivalent O(7) atoms. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form distorted corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a T-shaped geometry to one O(1), one O(10), and one O(3) atom. Al(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(2) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Cu(1), and one Cu(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(2), and one Al(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Cu(3), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Sm(1), one Cu(1), and one Cu(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(3), two equivalent Sm(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(4), and one Al(1) atom. is represented by the CIF card [CIF]
data_Ba6Sm3Al(Cu2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   8.675
_cell_length_c   12.674
_cell_angle_alpha   74.325
_cell_angle_beta   77.787
_cell_angle_gamma   73.285
_symmetry_Int_Tables_number   1
_cell_volume   556.415
_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  0.938  0.438  0.187  1.0
  Ba  Ba1  1  0.611  0.106  0.192  1.0
  Ba  Ba2  1  0.262  0.767  0.192  1.0
  Ba  Ba3  1  0.738  0.233  0.808  1.0
  Ba  Ba4  1  0.389  0.894  0.808  1.0
  Ba  Ba5  1  0.062  0.562  0.813  1.0
  Sm  Sm6  1  0.834  0.333  0.499  1.0
  Sm  Sm7  1  0.500  0.000  0.500  1.0
  Sm  Sm8  1  0.166  0.667  0.501  1.0
  Al  Al9  1  0.500  0.500  0.000  1.0
  Cu  Cu10  1  0.712  0.714  0.358  1.0
  Cu  Cu11  1  0.381  0.381  0.359  1.0
  Cu  Cu12  1  0.049  0.047  0.357  1.0
  Cu  Cu13  1  0.619  0.619  0.641  1.0
  Cu  Cu14  1  0.288  0.286  0.642  1.0
  Cu  Cu15  1  0.951  0.953  0.643  1.0
  Cu  Cu16  1  0.867  0.815  1.000  1.0
  Cu  Cu17  1  0.133  0.185  0.000  1.0
  O  O18  1  0.757  0.793  0.150  1.0
  O  O19  1  0.450  0.450  0.150  1.0
  O  O20  1  0.142  0.107  0.150  1.0
  O  O21  1  0.550  0.550  0.850  1.0
  O  O22  1  0.243  0.207  0.850  1.0
  O  O23  1  0.858  0.893  0.850  1.0
  O  O24  1  0.540  0.540  0.377  1.0
  O  O25  1  0.208  0.208  0.377  1.0
  O  O26  1  0.874  0.874  0.377  1.0
  O  O27  1  0.042  0.543  0.373  1.0
  O  O28  1  0.709  0.209  0.373  1.0
  O  O29  1  0.375  0.875  0.375  1.0
  O  O30  1  0.460  0.460  0.623  1.0
  O  O31  1  0.126  0.126  0.623  1.0
  O  O32  1  0.792  0.792  0.623  1.0
  O  O33  1  0.958  0.457  0.626  1.0
  O  O34  1  0.625  0.125  0.625  1.0
  O  O35  1  0.291  0.791  0.627  1.0
  O  O36  1  0.191  0.657  0.000  1.0
  O  O37  1  0.809  0.343  1.000  1.0
[/CIF]
.