The compound described by La2CoGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), one O(22), and one O(6) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(16), one O(18), one O(20), one O(22), one O(24), one O(4), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(15), one O(17), one O(19), one O(21), one O(23), one O(5), and one O(9) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(16), one O(19), one O(20), one O(23), one O(24), one O(3), and one O(7) atom. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(15), one O(19), one O(23), one O(3), one O(5), one O(7), and one O(9) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(13), one O(17), one O(2), one O(21), one O(5), one O(6), and one O(9) atom. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(16), one O(20), one O(24), one O(3), one O(4), one O(7), and one O(8) atom. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(18), one O(2), one O(22), one O(4), one O(6), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(17), one O(2), one O(21), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with three equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Co site, Co(2) is bonded to one O(1), one O(15), one O(19), one O(23), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with three equivalent Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Co site, Co(3) is bonded to one O(12), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ga(2)O6 octahedra and corners with three equivalent Ga(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the fourth Co site, Co(4) is bonded to one O(11), one O(16), one O(20), one O(24), one O(3), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Ga(3)O6 octahedra and corners with three equivalent Ga(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form GaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second Ga site, Ga(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form GaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Ga site, Ga(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form GaO6 octahedra that share corners with three equivalent Co(2)O6 octahedra and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. In the fourth Ga site, Ga(4) is bonded to one O(12), one O(16), one O(20), one O(24), one O(4), and one O(8) atom to form GaO6 octahedra that share corners with three equivalent Co(3)O6 octahedra and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-25°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2GaCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.526
_cell_length_c   5.548
_cell_angle_alpha   60.860
_cell_angle_beta   60.874
_cell_angle_gamma   61.632
_symmetry_Int_Tables_number   1
_cell_volume   121.874
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.749  0.750  0.751  1.0
  La  La3  1  0.250  0.250  0.249  1.0
  O  O4  1  0.742  0.327  0.181  1.0
  O  O5  1  0.180  0.751  0.323  1.0
  O  O6  1  0.316  0.177  0.753  1.0
  O  O7  1  0.820  0.249  0.677  1.0
  O  O8  1  0.684  0.823  0.247  1.0
  O  O9  1  0.258  0.673  0.819  1.0
[/CIF]
.
The compound described by La2CoGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), one O(22), and one O(6) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(16), one O(18), one O(20), one O(22), one O(24), one O(4), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(15), one O(17), one O(19), one O(21), one O(23), one O(5), and one O(9) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(16), one O(19), one O(20), one O(23), one O(24), one O(3), and one O(7) atom. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(15), one O(19), one O(23), one O(3), one O(5), one O(7), and one O(9) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(13), one O(17), one O(2), one O(21), one O(5), one O(6), and one O(9) atom. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(16), one O(20), one O(24), one O(3), one O(4), one O(7), and one O(8) atom. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(18), one O(2), one O(22), one O(4), one O(6), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(17), one O(2), one O(21), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with three equivalent Ga(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Co site, Co(2) is bonded to one O(1), one O(15), one O(19), one O(23), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with three equivalent Ga(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Co site, Co(3) is bonded to one O(12), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Ga(2)O6 octahedra and corners with three equivalent Ga(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the fourth Co site, Co(4) is bonded to one O(11), one O(16), one O(20), one O(24), one O(3), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Ga(3)O6 octahedra and corners with three equivalent Ga(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form GaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the second Ga site, Ga(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form GaO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-23°. In the third Ga site, Ga(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form GaO6 octahedra that share corners with three equivalent Co(2)O6 octahedra and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. In the fourth Ga site, Ga(4) is bonded to one O(12), one O(16), one O(20), one O(24), one O(4), and one O(8) atom to form GaO6 octahedra that share corners with three equivalent Co(3)O6 octahedra and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-25°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(3), one La(5), one La(6), one Co(2), and one Ga(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), one La(6), one La(8), one Co(1), and one Ga(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(7), one Co(4), and one Ga(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(2), one La(7), one La(8), one Co(3), and one Ga(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Co(1), and one Ga(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(8), one Co(3), and one Ga(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one La(3), one La(4), one La(5), one Co(2), and one Ga(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one La(2), one La(4), one La(7), one Co(4), and one Ga(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2GaCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.526
_cell_length_c   5.548
_cell_angle_alpha   60.860
_cell_angle_beta   60.874
_cell_angle_gamma   61.632
_symmetry_Int_Tables_number   1
_cell_volume   121.874
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.749  0.750  0.751  1.0
  La  La3  1  0.250  0.250  0.249  1.0
  O  O4  1  0.742  0.327  0.181  1.0
  O  O5  1  0.180  0.751  0.323  1.0
  O  O6  1  0.316  0.177  0.753  1.0
  O  O7  1  0.820  0.249  0.677  1.0
  O  O8  1  0.684  0.823  0.247  1.0
  O  O9  1  0.258  0.673  0.819  1.0
[/CIF]
.