The compound described by BaSmLaCuO5 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent La(1) atoms to form OBa2La2Sm2 octahedra that share corners with six equivalent O(1)Ba2La2Sm2 octahedra, corners with eight equivalent O(2)Ba2La2SmCu octahedra, corners with eight equivalent O(3)Ba2LaSm2Cu octahedra, faces with four equivalent O(2)Ba2La2SmCu octahedra, and faces with four equivalent O(3)Ba2LaSm2Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to two equivalent Ba(1), one Sm(1), two equivalent La(1), and one Cu(2) atom to form distorted OBa2La2SmCu octahedra that share corners with four equivalent O(1)Ba2La2Sm2 octahedra, corners with five equivalent O(2)Ba2La2SmCu octahedra, corners with eight equivalent O(3)Ba2LaSm2Cu octahedra,  an edgeedge with one O(2)Ba2La2SmCu octahedra, edges with four equivalent O(3)Ba2LaSm2Cu octahedra, faces with two equivalent O(1)Ba2La2Sm2 octahedra, and faces with three equivalent O(2)Ba2La2SmCu octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sm(1), one La(1), and one Cu(1) atom to form distorted OBa2LaSm2Cu octahedra that share corners with four equivalent O(1)Ba2La2Sm2 octahedra, corners with five equivalent O(3)Ba2LaSm2Cu octahedra, corners with eight equivalent O(2)Ba2La2SmCu octahedra,  an edgeedge with one O(3)Ba2LaSm2Cu octahedra, edges with four equivalent O(2)Ba2La2SmCu octahedra, faces with two equivalent O(1)Ba2La2Sm2 octahedra, and faces with three equivalent O(3)Ba2LaSm2Cu octahedra. The corner-sharing octahedral tilt angles range from 0-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaSmCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   6.793
_cell_length_c   6.793
_cell_angle_alpha   90.498
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.310
_cell_formula_units_Z   2
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  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.500  0.325  0.175  1.0
  La  La3  1  0.500  0.675  0.825  1.0
  Sm  Sm4  1  0.500  0.174  0.674  1.0
  Sm  Sm5  1  0.500  0.826  0.326  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.240  0.357  0.857  1.0
  O  O11  1  0.240  0.643  0.143  1.0
  O  O12  1  0.244  0.136  0.364  1.0
  O  O13  1  0.244  0.864  0.636  1.0
  O  O14  1  0.760  0.643  0.143  1.0
  O  O15  1  0.760  0.357  0.857  1.0
  O  O16  1  0.756  0.864  0.636  1.0
  O  O17  1  0.756  0.136  0.364  1.0
[/CIF]
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The compound described by BaSmLaCuO5 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent La(1) atoms to form OBa2La2Sm2 octahedra that share corners with six equivalent O(1)Ba2La2Sm2 octahedra, corners with eight equivalent O(2)Ba2La2SmCu octahedra, corners with eight equivalent O(3)Ba2LaSm2Cu octahedra, faces with four equivalent O(2)Ba2La2SmCu octahedra, and faces with four equivalent O(3)Ba2LaSm2Cu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to two equivalent Ba(1), one Sm(1), two equivalent La(1), and one Cu(2) atom to form distorted OBa2La2SmCu octahedra that share corners with four equivalent O(1)Ba2La2Sm2 octahedra, corners with five equivalent O(2)Ba2La2SmCu octahedra, corners with eight equivalent O(3)Ba2LaSm2Cu octahedra,  an edgeedge with one O(2)Ba2La2SmCu octahedra, edges with four equivalent O(3)Ba2LaSm2Cu octahedra, faces with two equivalent O(1)Ba2La2Sm2 octahedra, and faces with three equivalent O(2)Ba2La2SmCu octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sm(1), one La(1), and one Cu(1) atom to form distorted OBa2LaSm2Cu octahedra that share corners with four equivalent O(1)Ba2La2Sm2 octahedra, corners with five equivalent O(3)Ba2LaSm2Cu octahedra, corners with eight equivalent O(2)Ba2La2SmCu octahedra,  an edgeedge with one O(3)Ba2LaSm2Cu octahedra, edges with four equivalent O(2)Ba2La2SmCu octahedra, faces with two equivalent O(1)Ba2La2Sm2 octahedra, and faces with three equivalent O(3)Ba2LaSm2Cu octahedra. The corner-sharing octahedral tilt angles range from 0-78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLaSmCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   6.793
_cell_length_c   6.793
_cell_angle_alpha   90.498
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.310
_cell_formula_units_Z   2
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  0.000  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.500  0.325  0.175  1.0
  La  La3  1  0.500  0.675  0.825  1.0
  Sm  Sm4  1  0.500  0.174  0.674  1.0
  Sm  Sm5  1  0.500  0.826  0.326  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.500  0.000  0.000  1.0
  O  O10  1  0.240  0.357  0.857  1.0
  O  O11  1  0.240  0.643  0.143  1.0
  O  O12  1  0.244  0.136  0.364  1.0
  O  O13  1  0.244  0.864  0.636  1.0
  O  O14  1  0.760  0.643  0.143  1.0
  O  O15  1  0.760  0.357  0.857  1.0
  O  O16  1  0.756  0.864  0.636  1.0
  O  O17  1  0.756  0.136  0.364  1.0
[/CIF]
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