The material structure described by BaSmCoCuO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4mm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. Sm(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. Co(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. Cu(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(1)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra, edges with two equivalent O(1)Ba2Sm2Cu2 octahedra, faces with two equivalent O(3)Ba4CoCu octahedra, and faces with four equivalent O(1)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-59°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form distorted OBa4CoCu octahedra that share corners with four equivalent O(3)Ba4CoCu octahedra, corners with eight equivalent O(1)Ba2Sm2Cu2 octahedra, edges with four equivalent O(3)Ba4CoCu octahedra, and faces with four equivalent O(1)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sm(1), one Co(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_BaSmCoCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.934
_cell_length_b   3.934
_cell_length_c   7.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.648
_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  0.500  0.500  0.502  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.246  1.0
  Cu  Cu3  1  0.000  0.000  0.754  1.0
  O  O4  1  0.500  0.000  0.782  1.0
  O  O5  1  0.000  0.500  0.782  1.0
  O  O6  1  0.500  0.000  0.222  1.0
  O  O7  1  0.000  0.500  0.222  1.0
  O  O8  1  0.000  0.000  0.485  1.0
  O  O9  1  0.000  0.000  0.007  1.0
[/CIF]
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The material structure described by BaSmCoCuO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4mm space group. Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. Sm(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. Co(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. Cu(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(1)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra, edges with two equivalent O(1)Ba2Sm2Cu2 octahedra, faces with two equivalent O(3)Ba4CoCu octahedra, and faces with four equivalent O(1)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-59°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form distorted OBa4CoCu octahedra that share corners with four equivalent O(3)Ba4CoCu octahedra, corners with eight equivalent O(1)Ba2Sm2Cu2 octahedra, edges with four equivalent O(3)Ba4CoCu octahedra, and faces with four equivalent O(1)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sm(1), one Co(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_BaSmCoCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.934
_cell_length_b   3.934
_cell_length_c   7.732
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   119.648
_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  0.500  0.500  0.502  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Co  Co2  1  0.000  0.000  0.246  1.0
  Cu  Cu3  1  0.000  0.000  0.754  1.0
  O  O4  1  0.500  0.000  0.782  1.0
  O  O5  1  0.000  0.500  0.782  1.0
  O  O6  1  0.500  0.000  0.222  1.0
  O  O7  1  0.000  0.500  0.222  1.0
  O  O8  1  0.000  0.000  0.485  1.0
  O  O9  1  0.000  0.000  0.007  1.0
[/CIF]
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