The structure described by Ca3LaTi2Cr2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the second Ti site, Ti(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one Ti(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one La(1), one Ti(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ti(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ti(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one Ti(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one La(1), one Ti(1), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(1), and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one Ti(2), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one Ti(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ca3LaTi2Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.505
_cell_length_c   7.710
_cell_angle_alpha   89.948
_cell_angle_beta   89.905
_cell_angle_gamma   89.472
_symmetry_Int_Tables_number   1
_cell_volume   231.266
_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
  Ca  Ca0  1  0.509  0.463  0.752  1.0
  Ca  Ca1  1  0.992  0.959  0.753  1.0
  Ca  Ca2  1  0.490  0.539  0.247  1.0
  Cr  Cr3  1  0.000  0.500  0.998  1.0
  Cr  Cr4  1  0.501  0.999  0.503  1.0
  La  La5  1  0.007  0.032  0.248  1.0
  O  O6  1  0.291  0.281  0.457  1.0
  O  O7  1  0.215  0.791  0.032  1.0
  O  O8  1  0.708  0.717  0.958  1.0
  O  O9  1  0.791  0.213  0.539  1.0
  O  O10  1  0.710  0.722  0.543  1.0
  O  O11  1  0.788  0.206  0.964  1.0
  O  O12  1  0.291  0.283  0.044  1.0
  O  O13  1  0.216  0.784  0.463  1.0
  O  O14  1  0.423  0.026  0.744  1.0
  O  O15  1  0.077  0.515  0.746  1.0
  O  O16  1  0.566  0.978  0.256  1.0
  O  O17  1  0.923  0.493  0.255  1.0
  Ti  Ti18  1  0.000  0.499  0.507  1.0
  Ti  Ti19  1  0.501  0.000  0.991  1.0
[/CIF]
.
The structure described by Ca3LaTi2Cr2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the second Ti site, Ti(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one Ti(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one La(1), one Ti(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ti(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Ti(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(1), one Ti(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one La(1), one Ti(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one La(1), one Ti(1), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ti(1), and one Cr(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one Ti(2), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one Ti(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ca3LaTi2Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.448
_cell_length_b   5.505
_cell_length_c   7.710
_cell_angle_alpha   89.948
_cell_angle_beta   89.905
_cell_angle_gamma   89.472
_symmetry_Int_Tables_number   1
_cell_volume   231.266
_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
  Ca  Ca0  1  0.509  0.463  0.752  1.0
  Ca  Ca1  1  0.992  0.959  0.753  1.0
  Ca  Ca2  1  0.490  0.539  0.247  1.0
  Cr  Cr3  1  0.000  0.500  0.998  1.0
  Cr  Cr4  1  0.501  0.999  0.503  1.0
  La  La5  1  0.007  0.032  0.248  1.0
  O  O6  1  0.291  0.281  0.457  1.0
  O  O7  1  0.215  0.791  0.032  1.0
  O  O8  1  0.708  0.717  0.958  1.0
  O  O9  1  0.791  0.213  0.539  1.0
  O  O10  1  0.710  0.722  0.543  1.0
  O  O11  1  0.788  0.206  0.964  1.0
  O  O12  1  0.291  0.283  0.044  1.0
  O  O13  1  0.216  0.784  0.463  1.0
  O  O14  1  0.423  0.026  0.744  1.0
  O  O15  1  0.077  0.515  0.746  1.0
  O  O16  1  0.566  0.978  0.256  1.0
  O  O17  1  0.923  0.493  0.255  1.0
  Ti  Ti18  1  0.000  0.499  0.507  1.0
  Ti  Ti19  1  0.501  0.000  0.991  1.0
[/CIF]
.