The crystal structure described by CaLa9Ti5Cr5O30 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(15), one O(2), one O(28), one O(3), one O(30), and two equivalent O(5) atoms. There are nine inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(14), one O(19), one O(2), one O(21), one O(6), one O(7), one O(8), and two equivalent O(10) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(20), one O(24), one O(26), one O(6), and two equivalent O(16) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(14), one O(2), one O(22), one O(23), one O(30), one O(7), one O(8), and two equivalent O(4) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(17), one O(18), one O(19), one O(25), one O(28), one O(4), and two equivalent O(22) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(14), one O(20), one O(27), one O(3), one O(6), and two equivalent O(9) atoms. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(17), one O(23), one O(24), one O(29), one O(8), one O(9), and two equivalent O(27) atoms. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(11), one O(18), one O(19), one O(20), one O(25), one O(5), one O(7), and two equivalent O(15) atoms. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(17), one O(23), one O(24), one O(25), one O(29), and two equivalent O(21) atoms. In the ninth La site, La(9) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(18), one O(28), one O(29), one O(3), one O(30), and two equivalent O(26) atoms. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(20), one O(3), one O(5), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the second Ti site, Ti(2) is bonded to one O(10), one O(15), one O(19), one O(2), one O(25), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the third Ti site, Ti(3) is bonded to one O(2), one O(28), one O(30), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(18), one O(22), one O(26), one O(28), and one O(30) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(24), one O(26), one O(27), one O(29), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-23°. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(17), one O(23), one O(27), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Cr site, Cr(2) is bonded to one O(12), one O(16), one O(21), one O(24), one O(29), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the third Cr site, Cr(3) is bonded to one O(10), one O(12), one O(14), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CrO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the fifth Cr site, Cr(5) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(25) atom to form CrO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one La(6), one La(9), one Ti(1), and one Ti(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one La(1), one La(3), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one La(5), one La(9), one Ti(1), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Ti(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(7), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(5), one Cr(2), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(7), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Cr(1), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(6), two equivalent La(5), one Ti(1), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(8), two equivalent La(1), one Ti(2), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Ti(4), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(2), one La(5), one La(8), one Cr(2), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(1), one La(2), one La(5), one Ti(1), and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(5), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(7), one Ti(2), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(9), two equivalent La(2), one Cr(2), and one Cr(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(4), one La(6), one La(8), one Cr(1), and one Cr(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(9), one Ti(4), and one Cr(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one La(1), one La(4), one La(7), one Ti(2), and one Cr(5) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one La(2), one La(5), one La(7), one Ti(1), and one Cr(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(8), one Cr(2), and one Cr(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(4), one Ti(4), and one Cr(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one La(3), one La(6), one La(8), one Cr(1), and one Cr(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one La(2), one La(6), one La(8), one Ti(5), and one Cr(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(8), one Ti(2), and one Cr(5) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(9), one Ti(4), and one Ti(5) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one La(5), two equivalent La(6), one Ti(5), and one Cr(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ca(1), one La(4), one La(9), one Ti(3), and one Ti(4) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one La(6), one La(8), one La(9), one Ti(5), and one Cr(2) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Ca(1), one La(3), one La(9), one Ti(3), and one Ti(4) atom. is represented by the CIF file [CIF]
data_CaLa9Ti5Cr5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.570
_cell_length_b   9.698
_cell_length_c   12.452
_cell_angle_alpha   75.611
_cell_angle_beta   77.950
_cell_angle_gamma   73.769
_symmetry_Int_Tables_number   1
_cell_volume   618.478
_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  0.200  0.153  0.451  1.0
  La  La1  1  0.800  0.350  0.046  1.0
  La  La2  1  0.400  0.547  0.653  1.0
  La  La3  1  0.398  0.049  0.147  1.0
  La  La4  1  0.999  0.750  0.247  1.0
  La  La5  1  0.003  0.251  0.751  1.0
  La  La6  1  0.601  0.951  0.854  1.0
  La  La7  1  0.601  0.450  0.352  1.0
  La  La8  1  0.200  0.650  0.949  1.0
  La  La9  1  0.800  0.850  0.550  1.0
  Ti  Ti10  1  0.605  0.198  0.598  1.0
  Ti  Ti11  1  0.201  0.396  0.202  1.0
  Ti  Ti12  1  0.796  0.100  0.302  1.0
  Ti  Ti13  1  0.397  0.804  0.401  1.0
  Ti  Ti14  1  0.201  0.903  0.698  1.0
  Cr  Cr15  1  0.998  1.000  0.001  1.0
  Cr  Cr16  1  0.800  0.601  0.799  1.0
  Cr  Cr17  1  0.400  0.300  0.900  1.0
  Cr  Cr18  1  0.001  0.499  0.500  1.0
  Cr  Cr19  1  0.601  0.698  0.100  1.0
  O  O20  1  0.450  0.025  0.639  1.0
  O  O21  1  0.048  0.226  0.235  1.0
  O  O22  1  0.940  0.063  0.623  1.0
  O  O23  1  0.912  0.008  0.165  1.0
  O  O24  1  0.689  0.185  0.439  1.0
  O  O25  1  0.661  0.422  0.835  1.0
  O  O26  1  0.537  0.263  0.224  1.0
  O  O27  1  0.654  0.134  0.979  1.0
  O  O28  1  0.514  0.210  0.763  1.0
  O  O29  1  0.285  0.391  0.038  1.0
  O  O30  1  0.255  0.623  0.436  1.0
  O  O31  1  0.141  0.467  0.821  1.0
  O  O32  1  0.263  0.339  0.578  1.0
  O  O33  1  0.141  0.180  0.964  1.0
  O  O34  1  0.116  0.407  0.363  1.0
  O  O35  1  0.886  0.595  0.634  1.0
  O  O36  1  0.860  0.817  0.037  1.0
  O  O37  1  0.740  0.663  0.422  1.0
  O  O38  1  0.860  0.534  0.180  1.0
  O  O39  1  0.746  0.378  0.564  1.0
  O  O40  1  0.713  0.606  0.965  1.0
  O  O41  1  0.487  0.790  0.237  1.0
  O  O42  1  0.348  0.864  0.023  1.0
  O  O43  1  0.456  0.738  0.776  1.0
  O  O44  1  0.343  0.575  0.164  1.0
  O  O45  1  0.313  0.812  0.563  1.0
  O  O46  1  0.087  0.991  0.835  1.0
  O  O47  1  0.062  0.935  0.374  1.0
  O  O48  1  0.945  0.780  0.763  1.0
  O  O49  1  0.547  0.976  0.364  1.0
[/CIF]
.
The crystal structure described by CaLa9Ti5Cr5O30 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(15), one O(2), one O(28), one O(3), one O(30), and two equivalent O(5) atoms. There are nine inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(14), one O(19), one O(2), one O(21), one O(6), one O(7), one O(8), and two equivalent O(10) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(20), one O(24), one O(26), one O(6), and two equivalent O(16) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(14), one O(2), one O(22), one O(23), one O(30), one O(7), one O(8), and two equivalent O(4) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(17), one O(18), one O(19), one O(25), one O(28), one O(4), and two equivalent O(22) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(14), one O(20), one O(27), one O(3), one O(6), and two equivalent O(9) atoms. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(1), one O(17), one O(23), one O(24), one O(29), one O(8), one O(9), and two equivalent O(27) atoms. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(11), one O(18), one O(19), one O(20), one O(25), one O(5), one O(7), and two equivalent O(15) atoms. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(17), one O(23), one O(24), one O(25), one O(29), and two equivalent O(21) atoms. In the ninth La site, La(9) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(18), one O(28), one O(29), one O(3), one O(30), and two equivalent O(26) atoms. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(20), one O(3), one O(5), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the second Ti site, Ti(2) is bonded to one O(10), one O(15), one O(19), one O(2), one O(25), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the third Ti site, Ti(3) is bonded to one O(2), one O(28), one O(30), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(18), one O(22), one O(26), one O(28), and one O(30) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with two equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(24), one O(26), one O(27), one O(29), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-23°. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(14), one O(17), one O(23), one O(27), one O(4), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with two equivalent Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Cr site, Cr(2) is bonded to one O(12), one O(16), one O(21), one O(24), one O(29), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Cr(5)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, and corners with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the third Cr site, Cr(3) is bonded to one O(10), one O(12), one O(14), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CrO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the fifth Cr site, Cr(5) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(25) atom to form CrO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one La(6), one La(9), one Ti(1), and one Ti(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one La(1), one La(3), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one La(5), one La(9), one Ti(1), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Ti(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one La(7), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(5), one Cr(2), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(7), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Cr(1), and one Cr(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(6), two equivalent La(5), one Ti(1), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(8), two equivalent La(1), one Ti(2), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(2), one La(4), one La(7), one Ti(4), and one Cr(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(2), one La(5), one La(8), one Cr(2), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(1), one La(2), one La(5), one Ti(1), and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(5), one Cr(1), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(1), two equivalent La(7), one Ti(2), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(9), two equivalent La(2), one Cr(2), and one Cr(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(4), one La(6), one La(8), one Cr(1), and one Cr(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(9), one Ti(4), and one Cr(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one La(1), one La(4), one La(7), one Ti(2), and one Cr(5) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one La(2), one La(5), one La(7), one Ti(1), and one Cr(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(8), one Cr(2), and one Cr(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(4), one Ti(4), and one Cr(5) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one La(3), one La(6), one La(8), one Cr(1), and one Cr(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one La(2), one La(6), one La(8), one Ti(5), and one Cr(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(8), one Ti(2), and one Cr(5) atom. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(9), one Ti(4), and one Ti(5) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one La(5), two equivalent La(6), one Ti(5), and one Cr(1) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ca(1), one La(4), one La(9), one Ti(3), and one Ti(4) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one La(6), one La(8), one La(9), one Ti(5), and one Cr(2) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Ca(1), one La(3), one La(9), one Ti(3), and one Ti(4) atom. is represented by the CIF file [CIF]
data_CaLa9Ti5Cr5O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.570
_cell_length_b   9.698
_cell_length_c   12.452
_cell_angle_alpha   75.611
_cell_angle_beta   77.950
_cell_angle_gamma   73.769
_symmetry_Int_Tables_number   1
_cell_volume   618.478
_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  0.200  0.153  0.451  1.0
  La  La1  1  0.800  0.350  0.046  1.0
  La  La2  1  0.400  0.547  0.653  1.0
  La  La3  1  0.398  0.049  0.147  1.0
  La  La4  1  0.999  0.750  0.247  1.0
  La  La5  1  0.003  0.251  0.751  1.0
  La  La6  1  0.601  0.951  0.854  1.0
  La  La7  1  0.601  0.450  0.352  1.0
  La  La8  1  0.200  0.650  0.949  1.0
  La  La9  1  0.800  0.850  0.550  1.0
  Ti  Ti10  1  0.605  0.198  0.598  1.0
  Ti  Ti11  1  0.201  0.396  0.202  1.0
  Ti  Ti12  1  0.796  0.100  0.302  1.0
  Ti  Ti13  1  0.397  0.804  0.401  1.0
  Ti  Ti14  1  0.201  0.903  0.698  1.0
  Cr  Cr15  1  0.998  1.000  0.001  1.0
  Cr  Cr16  1  0.800  0.601  0.799  1.0
  Cr  Cr17  1  0.400  0.300  0.900  1.0
  Cr  Cr18  1  0.001  0.499  0.500  1.0
  Cr  Cr19  1  0.601  0.698  0.100  1.0
  O  O20  1  0.450  0.025  0.639  1.0
  O  O21  1  0.048  0.226  0.235  1.0
  O  O22  1  0.940  0.063  0.623  1.0
  O  O23  1  0.912  0.008  0.165  1.0
  O  O24  1  0.689  0.185  0.439  1.0
  O  O25  1  0.661  0.422  0.835  1.0
  O  O26  1  0.537  0.263  0.224  1.0
  O  O27  1  0.654  0.134  0.979  1.0
  O  O28  1  0.514  0.210  0.763  1.0
  O  O29  1  0.285  0.391  0.038  1.0
  O  O30  1  0.255  0.623  0.436  1.0
  O  O31  1  0.141  0.467  0.821  1.0
  O  O32  1  0.263  0.339  0.578  1.0
  O  O33  1  0.141  0.180  0.964  1.0
  O  O34  1  0.116  0.407  0.363  1.0
  O  O35  1  0.886  0.595  0.634  1.0
  O  O36  1  0.860  0.817  0.037  1.0
  O  O37  1  0.740  0.663  0.422  1.0
  O  O38  1  0.860  0.534  0.180  1.0
  O  O39  1  0.746  0.378  0.564  1.0
  O  O40  1  0.713  0.606  0.965  1.0
  O  O41  1  0.487  0.790  0.237  1.0
  O  O42  1  0.348  0.864  0.023  1.0
  O  O43  1  0.456  0.738  0.776  1.0
  O  O44  1  0.343  0.575  0.164  1.0
  O  O45  1  0.313  0.812  0.563  1.0
  O  O46  1  0.087  0.991  0.835  1.0
  O  O47  1  0.062  0.935  0.374  1.0
  O  O48  1  0.945  0.780  0.763  1.0
  O  O49  1  0.547  0.976  0.364  1.0
[/CIF]
.