The crystal structure described by Ca2La8Ti5Cr5O30 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(11), one O(2), one O(5), one O(6), one O(9), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(6), and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(3), one O(5), one O(8), two equivalent O(7), and two equivalent O(9) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(8), two equivalent O(14), two equivalent O(15), and three equivalent O(12) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(15), one O(7), one O(8), two equivalent O(10), and two equivalent O(13) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(13), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the third Cr site, Cr(3) is bonded to two equivalent O(12), two equivalent O(14), and two equivalent O(15) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(2), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Ti(2), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(2), one Ti(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Cr(1), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(2), one Ti(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(4), one Cr(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(1), one La(2), one La(4), one Ti(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to three equivalent La(3), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(4), one Cr(1), and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Cr(1), and one Cr(3) atom. is represented by the CIF file [CIF]
data_Ca2La8Ti5Cr5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.523
_cell_length_c   27.620
_cell_angle_alpha   60.677
_cell_angle_beta   60.708
_cell_angle_gamma   60.687
_symmetry_Int_Tables_number   1
_cell_volume   604.891
_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  0.252  0.253  0.048  1.0
  Ca  Ca1  1  0.748  0.747  0.352  1.0
  La  La2  1  0.247  0.246  0.252  1.0
  La  La3  1  0.753  0.754  0.148  1.0
  La  La4  1  0.252  0.251  0.451  1.0
  La  La5  1  0.249  0.251  0.650  1.0
  La  La6  1  0.749  0.751  0.551  1.0
  La  La7  1  0.251  0.249  0.849  1.0
  La  La8  1  0.751  0.749  0.750  1.0
  La  La9  1  0.748  0.749  0.949  1.0
  Ti  Ti10  1  0.998  0.997  0.001  1.0
  Ti  Ti11  1  0.000  0.000  0.200  1.0
  Ti  Ti12  1  0.505  0.500  0.099  1.0
  Ti  Ti13  1  0.002  0.003  0.399  1.0
  Ti  Ti14  1  0.495  0.500  0.301  1.0
  Cr  Cr15  1  1.000  0.001  0.600  1.0
  Cr  Cr16  1  0.502  0.502  0.499  1.0
  Cr  Cr17  1  0.000  0.999  0.800  1.0
  Cr  Cr18  1  0.500  0.500  0.700  1.0
  Cr  Cr19  1  0.498  0.498  0.901  1.0
  O  O20  1  0.190  0.750  0.062  1.0
  O  O21  1  0.312  0.189  0.151  1.0
  O  O22  1  0.753  0.308  0.038  1.0
  O  O23  1  0.253  0.683  0.163  1.0
  O  O24  1  0.684  0.818  0.050  1.0
  O  O25  1  0.183  0.749  0.263  1.0
  O  O26  1  0.817  0.251  0.137  1.0
  O  O27  1  0.316  0.182  0.350  1.0
  O  O28  1  0.747  0.317  0.237  1.0
  O  O29  1  0.247  0.692  0.362  1.0
  O  O30  1  0.688  0.811  0.249  1.0
  O  O31  1  0.182  0.753  0.463  1.0
  O  O32  1  0.810  0.250  0.338  1.0
  O  O33  1  0.323  0.179  0.549  1.0
  O  O34  1  0.752  0.317  0.436  1.0
  O  O35  1  0.250  0.679  0.564  1.0
  O  O36  1  0.686  0.817  0.450  1.0
  O  O37  1  0.178  0.750  0.664  1.0
  O  O38  1  0.823  0.251  0.535  1.0
  O  O39  1  0.323  0.177  0.751  1.0
  O  O40  1  0.750  0.321  0.636  1.0
  O  O41  1  0.250  0.679  0.764  1.0
  O  O42  1  0.677  0.823  0.649  1.0
  O  O43  1  0.177  0.749  0.865  1.0
  O  O44  1  0.822  0.250  0.736  1.0
  O  O45  1  0.314  0.183  0.950  1.0
  O  O46  1  0.750  0.321  0.836  1.0
  O  O47  1  0.248  0.683  0.964  1.0
  O  O48  1  0.677  0.821  0.851  1.0
  O  O49  1  0.818  0.247  0.937  1.0
[/CIF]
.
The crystal structure described by Ca2La8Ti5Cr5O30 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(11), one O(2), one O(5), one O(6), one O(9), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(6), and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(3), one O(5), one O(8), two equivalent O(7), and two equivalent O(9) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(8), two equivalent O(14), two equivalent O(15), and three equivalent O(12) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(14), one O(15), one O(7), one O(8), two equivalent O(10), and two equivalent O(13) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(13), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the third Cr site, Cr(3) is bonded to two equivalent O(12), two equivalent O(14), and two equivalent O(15) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(2), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent La(1), one Ti(2), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(2), one Ti(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Cr(1), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(2), one Ti(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(4), one Cr(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(1), one La(2), one La(4), one Ti(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to three equivalent La(3), one Cr(1), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(4), one Cr(1), and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Cr(1), and one Cr(3) atom. is represented by the CIF file [CIF]
data_Ca2La8Ti5Cr5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   5.523
_cell_length_c   27.620
_cell_angle_alpha   60.677
_cell_angle_beta   60.708
_cell_angle_gamma   60.687
_symmetry_Int_Tables_number   1
_cell_volume   604.891
_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  0.252  0.253  0.048  1.0
  Ca  Ca1  1  0.748  0.747  0.352  1.0
  La  La2  1  0.247  0.246  0.252  1.0
  La  La3  1  0.753  0.754  0.148  1.0
  La  La4  1  0.252  0.251  0.451  1.0
  La  La5  1  0.249  0.251  0.650  1.0
  La  La6  1  0.749  0.751  0.551  1.0
  La  La7  1  0.251  0.249  0.849  1.0
  La  La8  1  0.751  0.749  0.750  1.0
  La  La9  1  0.748  0.749  0.949  1.0
  Ti  Ti10  1  0.998  0.997  0.001  1.0
  Ti  Ti11  1  0.000  0.000  0.200  1.0
  Ti  Ti12  1  0.505  0.500  0.099  1.0
  Ti  Ti13  1  0.002  0.003  0.399  1.0
  Ti  Ti14  1  0.495  0.500  0.301  1.0
  Cr  Cr15  1  1.000  0.001  0.600  1.0
  Cr  Cr16  1  0.502  0.502  0.499  1.0
  Cr  Cr17  1  0.000  0.999  0.800  1.0
  Cr  Cr18  1  0.500  0.500  0.700  1.0
  Cr  Cr19  1  0.498  0.498  0.901  1.0
  O  O20  1  0.190  0.750  0.062  1.0
  O  O21  1  0.312  0.189  0.151  1.0
  O  O22  1  0.753  0.308  0.038  1.0
  O  O23  1  0.253  0.683  0.163  1.0
  O  O24  1  0.684  0.818  0.050  1.0
  O  O25  1  0.183  0.749  0.263  1.0
  O  O26  1  0.817  0.251  0.137  1.0
  O  O27  1  0.316  0.182  0.350  1.0
  O  O28  1  0.747  0.317  0.237  1.0
  O  O29  1  0.247  0.692  0.362  1.0
  O  O30  1  0.688  0.811  0.249  1.0
  O  O31  1  0.182  0.753  0.463  1.0
  O  O32  1  0.810  0.250  0.338  1.0
  O  O33  1  0.323  0.179  0.549  1.0
  O  O34  1  0.752  0.317  0.436  1.0
  O  O35  1  0.250  0.679  0.564  1.0
  O  O36  1  0.686  0.817  0.450  1.0
  O  O37  1  0.178  0.750  0.664  1.0
  O  O38  1  0.823  0.251  0.535  1.0
  O  O39  1  0.323  0.177  0.751  1.0
  O  O40  1  0.750  0.321  0.636  1.0
  O  O41  1  0.250  0.679  0.764  1.0
  O  O42  1  0.677  0.823  0.649  1.0
  O  O43  1  0.177  0.749  0.865  1.0
  O  O44  1  0.822  0.250  0.736  1.0
  O  O45  1  0.314  0.183  0.950  1.0
  O  O46  1  0.750  0.321  0.836  1.0
  O  O47  1  0.248  0.683  0.964  1.0
  O  O48  1  0.677  0.821  0.851  1.0
  O  O49  1  0.818  0.247  0.937  1.0
[/CIF]
.