The compound described by SrLaCuGaO5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Cu(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one Ga(1)O4 tetrahedra, and  a cornercorner with one Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. In the second Ga site, Ga(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ga(1), and one Ga(2) atom to form distorted OLa2Ga2 tetrahedra that share corners with four equivalent O(5)Sr2La2Cu2 octahedra, corners with four equivalent O(6)Sr2La2Cu2 octahedra, and corners with two equivalent O(2)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 25-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Ga(1), and one Ga(2) atom to form distorted OSr2Ga2 tetrahedra that share corners with four equivalent O(5)Sr2La2Cu2 octahedra, corners with four equivalent O(6)Sr2La2Cu2 octahedra, and corners with two equivalent O(1)La2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 23-70°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Cu(1), and one Ga(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Cu(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(5)Sr2La2Cu2 octahedra, corners with two equivalent O(1)La2Ga2 tetrahedra, corners with two equivalent O(2)Sr2Ga2 tetrahedra, edges with two equivalent O(5)Sr2La2Cu2 octahedra, and faces with four equivalent O(6)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(6)Sr2La2Cu2 octahedra, corners with two equivalent O(1)La2Ga2 tetrahedra, corners with two equivalent O(2)Sr2Ga2 tetrahedra, edges with two equivalent O(6)Sr2La2Cu2 octahedra, and faces with four equivalent O(5)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_SrLaGaCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.192
_cell_length_b   9.192
_cell_length_c   5.353
_cell_angle_alpha   73.091
_cell_angle_beta   73.091
_cell_angle_gamma   130.173
_symmetry_Int_Tables_number   1
_cell_volume   250.027
_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
  Sr  Sr0  1  0.402  0.123  0.490  1.0
  Sr  Sr1  1  0.123  0.402  0.490  1.0
  La  La2  1  0.574  0.869  0.531  1.0
  La  La3  1  0.869  0.574  0.531  1.0
  Ga  Ga4  1  0.184  0.184  0.111  1.0
  Ga  Ga5  1  0.818  0.818  0.972  1.0
  Cu  Cu6  1  0.497  0.996  0.003  1.0
  Cu  Cu7  1  0.996  0.497  0.003  1.0
  O  O8  1  0.869  0.869  0.282  1.0
  O  O9  1  0.129  0.129  0.518  1.0
  O  O10  1  0.421  0.226  0.903  1.0
  O  O11  1  0.600  0.802  0.021  1.0
  O  O12  1  0.226  0.421  0.903  1.0
  O  O13  1  0.802  0.600  0.021  1.0
  O  O14  1  0.754  0.245  0.503  1.0
  O  O15  1  0.240  0.751  0.006  1.0
  O  O16  1  0.245  0.754  0.503  1.0
  O  O17  1  0.751  0.240  0.006  1.0
[/CIF]
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The compound described by SrLaCuGaO5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Cu(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one Ga(1)O4 tetrahedra, and  a cornercorner with one Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. In the second Ga site, Ga(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ga(1), and one Ga(2) atom to form distorted OLa2Ga2 tetrahedra that share corners with four equivalent O(5)Sr2La2Cu2 octahedra, corners with four equivalent O(6)Sr2La2Cu2 octahedra, and corners with two equivalent O(2)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 25-73°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Ga(1), and one Ga(2) atom to form distorted OSr2Ga2 tetrahedra that share corners with four equivalent O(5)Sr2La2Cu2 octahedra, corners with four equivalent O(6)Sr2La2Cu2 octahedra, and corners with two equivalent O(1)La2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 23-70°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Cu(1), and one Ga(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Sr(1), two equivalent La(1), one Cu(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(5)Sr2La2Cu2 octahedra, corners with two equivalent O(1)La2Ga2 tetrahedra, corners with two equivalent O(2)Sr2Ga2 tetrahedra, edges with two equivalent O(5)Sr2La2Cu2 octahedra, and faces with four equivalent O(6)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(6)Sr2La2Cu2 octahedra, corners with two equivalent O(1)La2Ga2 tetrahedra, corners with two equivalent O(2)Sr2Ga2 tetrahedra, edges with two equivalent O(6)Sr2La2Cu2 octahedra, and faces with four equivalent O(5)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_SrLaGaCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.192
_cell_length_b   9.192
_cell_length_c   5.353
_cell_angle_alpha   73.091
_cell_angle_beta   73.091
_cell_angle_gamma   130.173
_symmetry_Int_Tables_number   1
_cell_volume   250.027
_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
  Sr  Sr0  1  0.402  0.123  0.490  1.0
  Sr  Sr1  1  0.123  0.402  0.490  1.0
  La  La2  1  0.574  0.869  0.531  1.0
  La  La3  1  0.869  0.574  0.531  1.0
  Ga  Ga4  1  0.184  0.184  0.111  1.0
  Ga  Ga5  1  0.818  0.818  0.972  1.0
  Cu  Cu6  1  0.497  0.996  0.003  1.0
  Cu  Cu7  1  0.996  0.497  0.003  1.0
  O  O8  1  0.869  0.869  0.282  1.0
  O  O9  1  0.129  0.129  0.518  1.0
  O  O10  1  0.421  0.226  0.903  1.0
  O  O11  1  0.600  0.802  0.021  1.0
  O  O12  1  0.226  0.421  0.903  1.0
  O  O13  1  0.802  0.600  0.021  1.0
  O  O14  1  0.754  0.245  0.503  1.0
  O  O15  1  0.240  0.751  0.006  1.0
  O  O16  1  0.245  0.754  0.503  1.0
  O  O17  1  0.751  0.240  0.006  1.0
[/CIF]
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