The crystal structure described by CaLaFeAgO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Ag(1)O6 octahedra and corners with four equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ag(2)O6 octahedra and corners with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form AgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second Ag site, Ag(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form AgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one La(2), one Fe(2), and one Ag(2) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one La(1), one Fe(1), and one Ag(1) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Fe(1), and one Ag(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Fe(2), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Fe(2), and one Ag(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Fe(1), and one Ag(2) atom. In the seventh O site, O(7) is bonded to one Ca(2), one La(2), one Fe(1), and one Ag(1) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the eighth O site, O(8) is bonded to one Ca(1), one La(1), one Fe(2), and one Ag(2) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Fe(2), and one Ag(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Fe(1), and one Ag(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Fe(1), and one Ag(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Fe(2), and one Ag(1) atom. is represented by the CIF file [CIF]
data_CaLaFeAgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.799
_cell_length_c   7.791
_cell_angle_alpha   89.980
_cell_angle_beta   89.482
_cell_angle_gamma   89.921
_symmetry_Int_Tables_number   1
_cell_volume   254.287
_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
  Ag  Ag0  1  1.000  0.499  0.501  1.0
  Ag  Ag1  1  0.500  0.001  0.001  1.0
  Ca  Ca2  1  0.484  0.441  0.748  1.0
  Ca  Ca3  1  0.984  0.059  0.249  1.0
  Fe  Fe4  1  0.000  0.498  0.999  1.0
  Fe  Fe5  1  0.501  0.002  0.499  1.0
  La  La6  1  0.014  0.948  0.751  1.0
  La  La7  1  0.514  0.552  0.251  1.0
  O  O8  1  0.396  0.966  0.254  1.0
  O  O9  1  0.896  0.535  0.754  1.0
  O  O10  1  0.815  0.782  0.053  1.0
  O  O11  1  0.316  0.718  0.552  1.0
  O  O12  1  0.788  0.810  0.449  1.0
  O  O13  1  0.288  0.689  0.950  1.0
  O  O14  1  0.095  0.461  0.246  1.0
  O  O15  1  0.596  0.040  0.746  1.0
  O  O16  1  0.689  0.280  0.449  1.0
  O  O17  1  0.190  0.220  0.949  1.0
  O  O18  1  0.718  0.305  0.049  1.0
  O  O19  1  0.217  0.194  0.549  1.0
[/CIF]
.
The crystal structure described by CaLaFeAgO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Ag(1)O6 octahedra and corners with four equivalent Ag(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ag(2)O6 octahedra and corners with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form AgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second Ag site, Ag(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form AgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), one La(2), one Fe(2), and one Ag(2) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one La(1), one Fe(1), and one Ag(1) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Fe(1), and one Ag(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Fe(2), and one Ag(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one Fe(2), and one Ag(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Fe(1), and one Ag(2) atom. In the seventh O site, O(7) is bonded to one Ca(2), one La(2), one Fe(1), and one Ag(1) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the eighth O site, O(8) is bonded to one Ca(1), one La(1), one Fe(2), and one Ag(2) atom to form distorted corner-sharing OCaLaFeAg tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Fe(2), and one Ag(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Fe(1), and one Ag(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Fe(1), and one Ag(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Fe(2), and one Ag(1) atom. is represented by the CIF file [CIF]
data_CaLaFeAgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.799
_cell_length_c   7.791
_cell_angle_alpha   89.980
_cell_angle_beta   89.482
_cell_angle_gamma   89.921
_symmetry_Int_Tables_number   1
_cell_volume   254.287
_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
  Ag  Ag0  1  1.000  0.499  0.501  1.0
  Ag  Ag1  1  0.500  0.001  0.001  1.0
  Ca  Ca2  1  0.484  0.441  0.748  1.0
  Ca  Ca3  1  0.984  0.059  0.249  1.0
  Fe  Fe4  1  0.000  0.498  0.999  1.0
  Fe  Fe5  1  0.501  0.002  0.499  1.0
  La  La6  1  0.014  0.948  0.751  1.0
  La  La7  1  0.514  0.552  0.251  1.0
  O  O8  1  0.396  0.966  0.254  1.0
  O  O9  1  0.896  0.535  0.754  1.0
  O  O10  1  0.815  0.782  0.053  1.0
  O  O11  1  0.316  0.718  0.552  1.0
  O  O12  1  0.788  0.810  0.449  1.0
  O  O13  1  0.288  0.689  0.950  1.0
  O  O14  1  0.095  0.461  0.246  1.0
  O  O15  1  0.596  0.040  0.746  1.0
  O  O16  1  0.689  0.280  0.449  1.0
  O  O17  1  0.190  0.220  0.949  1.0
  O  O18  1  0.718  0.305  0.049  1.0
  O  O19  1  0.217  0.194  0.549  1.0
[/CIF]
.