The material structure described by BaLa2TiCr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(8), two equivalent O(7), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one La(2)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(7), two equivalent O(8), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are five inequivalent La sites. In the first La site, La(1) is bonded to one O(7), one O(9), two equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one La(3)O12 cuboctahedra, corners with two equivalent La(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(10), two equivalent O(9), four equivalent O(4), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra; corners with two equivalent La(2)O12 cuboctahedra; corners with four equivalent La(1)O12 cuboctahedra; corners with five La(3,3)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with two equivalent La(3)O12 cuboctahedra; faces with two equivalent Cr(1)O6 octahedra; faces with two equivalent Cr(3)O6 octahedra; and faces with four equivalent Cr(2)O6 octahedra. In the third La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. In the fourth La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. In the fifth La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(8) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Cr site, Cr(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Cr site, Cr(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra; corners with four equivalent Cr(3)O6 octahedra; faces with two equivalent La(2)O12 cuboctahedra; and faces with six La(3,3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one La(2), two equivalent La(1), and two equivalent Cr(1) atoms to form distorted OBaLa3Cr2 octahedra that share  a cornercorner with one O(10)La4Cr2 octahedra, corners with four equivalent O(1)BaLa3Cr2 octahedra, and edges with two equivalent O(9)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), one Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four La(3,3) and two equivalent Cr(3) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one La(1), and two equivalent Ti(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded to one La(1), one La(3), two equivalent La(2), and two equivalent Cr(2) atoms to form distorted OLa4Cr2 octahedra that share  a cornercorner with one O(10)La4Cr2 octahedra, corners with four equivalent O(9)La4Cr2 octahedra, edges with two equivalent O(1)BaLa3Cr2 octahedra, and edges with two equivalent O(10)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the tenth O site, O(10) is bonded to one La(2); three La(3,3); and two equivalent Cr(3) atoms to form distorted OLa4Cr2 octahedra that share  a cornercorner with one O(1)BaLa3Cr2 octahedra,  a cornercorner with one O(9)La4Cr2 octahedra, corners with four equivalent O(10)La4Cr2 octahedra, edges with two equivalent O(10)La4Cr2 octahedra, and edges with two equivalent O(9)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_BaLa2TiCr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.277
_cell_length_b   25.277
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   167.223
_symmetry_Int_Tables_number   1
_cell_volume   560.728
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.057  0.943  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.943  0.057  0.500  1.0
  La  La3  1  0.387  0.613  0.500  1.0
  La  La4  1  0.833  0.167  0.500  1.0
  La  La5  1  0.277  0.723  0.500  1.0
  La  La6  1  0.723  0.277  0.500  1.0
  La  La7  1  0.167  0.833  0.500  1.0
  La  La8  1  0.613  0.387  0.500  1.0
  Ti  Ti9  1  0.557  0.443  0.000  1.0
  Ti  Ti10  1  0.000  0.000  0.000  1.0
  Ti  Ti11  1  0.443  0.557  0.000  1.0
  Cr  Cr12  1  0.888  0.112  0.000  1.0
  Cr  Cr13  1  0.333  0.667  0.000  1.0
  Cr  Cr14  1  0.778  0.222  0.000  1.0
  Cr  Cr15  1  0.222  0.778  0.000  1.0
  Cr  Cr16  1  0.667  0.333  0.000  1.0
  Cr  Cr17  1  0.112  0.888  0.000  1.0
  O  O18  1  0.115  0.885  0.500  1.0
  O  O19  1  0.278  0.221  0.000  1.0
  O  O20  1  0.722  0.779  0.000  1.0
  O  O21  1  0.179  0.350  0.000  1.0
  O  O22  1  0.056  0.446  0.000  1.0
  O  O23  1  0.610  0.890  0.000  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.944  0.554  0.000  1.0
  O  O26  1  0.390  0.110  0.000  1.0
  O  O27  1  0.821  0.650  0.000  1.0
  O  O28  1  0.779  0.722  0.000  1.0
  O  O29  1  0.221  0.278  0.000  1.0
  O  O30  1  0.650  0.821  0.000  1.0
  O  O31  1  0.110  0.390  0.000  1.0
  O  O32  1  0.554  0.944  0.000  1.0
  O  O33  1  0.446  0.056  0.000  1.0
  O  O34  1  0.000  0.500  0.000  1.0
  O  O35  1  0.350  0.179  0.000  1.0
  O  O36  1  0.890  0.610  0.000  1.0
  O  O37  1  0.558  0.442  0.500  1.0
  O  O38  1  0.000  0.000  0.500  1.0
  O  O39  1  0.442  0.558  0.500  1.0
  O  O40  1  0.885  0.115  0.500  1.0
  O  O41  1  0.333  0.667  0.500  1.0
  O  O42  1  0.777  0.223  0.500  1.0
  O  O43  1  0.223  0.777  0.500  1.0
  O  O44  1  0.667  0.333  0.500  1.0
[/CIF]
.
The material structure described by BaLa2TiCr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(1), one O(8), two equivalent O(7), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share  a cornercorner with one La(2)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to two equivalent O(7), two equivalent O(8), and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There are five inequivalent La sites. In the first La site, La(1) is bonded to one O(7), one O(9), two equivalent O(1), four equivalent O(3), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one La(3)O12 cuboctahedra, corners with two equivalent La(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(10), two equivalent O(9), four equivalent O(4), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra; corners with two equivalent La(2)O12 cuboctahedra; corners with four equivalent La(1)O12 cuboctahedra; corners with five La(3,3)O12 cuboctahedra; faces with two equivalent La(1)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with two equivalent La(3)O12 cuboctahedra; faces with two equivalent Cr(1)O6 octahedra; faces with two equivalent Cr(3)O6 octahedra; and faces with four equivalent Cr(2)O6 octahedra. In the third La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. In the fourth La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. In the fifth La site, La(3) is bonded to one O(9), three equivalent O(10), four equivalent O(4), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share  a cornercorner with one La(1)O12 cuboctahedra; corners with five equivalent La(2)O12 cuboctahedra; corners with six La(3,3)O12 cuboctahedra; faces with two equivalent La(2)O12 cuboctahedra; faces with four La(3,3)O12 cuboctahedra; faces with two equivalent Cr(2)O6 octahedra; and faces with six equivalent Cr(3)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(8) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Cr site, Cr(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Cr site, Cr(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra; corners with four equivalent Cr(3)O6 octahedra; faces with two equivalent La(2)O12 cuboctahedra; and faces with six La(3,3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one La(2), two equivalent La(1), and two equivalent Cr(1) atoms to form distorted OBaLa3Cr2 octahedra that share  a cornercorner with one O(10)La4Cr2 octahedra, corners with four equivalent O(1)BaLa3Cr2 octahedra, and edges with two equivalent O(9)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), one Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four La(3,3) and two equivalent Cr(3) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one La(1), and two equivalent Ti(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded to one La(1), one La(3), two equivalent La(2), and two equivalent Cr(2) atoms to form distorted OLa4Cr2 octahedra that share  a cornercorner with one O(10)La4Cr2 octahedra, corners with four equivalent O(9)La4Cr2 octahedra, edges with two equivalent O(1)BaLa3Cr2 octahedra, and edges with two equivalent O(10)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the tenth O site, O(10) is bonded to one La(2); three La(3,3); and two equivalent Cr(3) atoms to form distorted OLa4Cr2 octahedra that share  a cornercorner with one O(1)BaLa3Cr2 octahedra,  a cornercorner with one O(9)La4Cr2 octahedra, corners with four equivalent O(10)La4Cr2 octahedra, edges with two equivalent O(10)La4Cr2 octahedra, and edges with two equivalent O(9)La4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_BaLa2TiCr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.277
_cell_length_b   25.277
_cell_length_c   3.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   167.223
_symmetry_Int_Tables_number   1
_cell_volume   560.728
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.057  0.943  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.500  1.0
  Ba  Ba2  1  0.943  0.057  0.500  1.0
  La  La3  1  0.387  0.613  0.500  1.0
  La  La4  1  0.833  0.167  0.500  1.0
  La  La5  1  0.277  0.723  0.500  1.0
  La  La6  1  0.723  0.277  0.500  1.0
  La  La7  1  0.167  0.833  0.500  1.0
  La  La8  1  0.613  0.387  0.500  1.0
  Ti  Ti9  1  0.557  0.443  0.000  1.0
  Ti  Ti10  1  0.000  0.000  0.000  1.0
  Ti  Ti11  1  0.443  0.557  0.000  1.0
  Cr  Cr12  1  0.888  0.112  0.000  1.0
  Cr  Cr13  1  0.333  0.667  0.000  1.0
  Cr  Cr14  1  0.778  0.222  0.000  1.0
  Cr  Cr15  1  0.222  0.778  0.000  1.0
  Cr  Cr16  1  0.667  0.333  0.000  1.0
  Cr  Cr17  1  0.112  0.888  0.000  1.0
  O  O18  1  0.115  0.885  0.500  1.0
  O  O19  1  0.278  0.221  0.000  1.0
  O  O20  1  0.722  0.779  0.000  1.0
  O  O21  1  0.179  0.350  0.000  1.0
  O  O22  1  0.056  0.446  0.000  1.0
  O  O23  1  0.610  0.890  0.000  1.0
  O  O24  1  0.500  0.000  0.000  1.0
  O  O25  1  0.944  0.554  0.000  1.0
  O  O26  1  0.390  0.110  0.000  1.0
  O  O27  1  0.821  0.650  0.000  1.0
  O  O28  1  0.779  0.722  0.000  1.0
  O  O29  1  0.221  0.278  0.000  1.0
  O  O30  1  0.650  0.821  0.000  1.0
  O  O31  1  0.110  0.390  0.000  1.0
  O  O32  1  0.554  0.944  0.000  1.0
  O  O33  1  0.446  0.056  0.000  1.0
  O  O34  1  0.000  0.500  0.000  1.0
  O  O35  1  0.350  0.179  0.000  1.0
  O  O36  1  0.890  0.610  0.000  1.0
  O  O37  1  0.558  0.442  0.500  1.0
  O  O38  1  0.000  0.000  0.500  1.0
  O  O39  1  0.442  0.558  0.500  1.0
  O  O40  1  0.885  0.115  0.500  1.0
  O  O41  1  0.333  0.667  0.500  1.0
  O  O42  1  0.777  0.223  0.500  1.0
  O  O43  1  0.223  0.777  0.500  1.0
  O  O44  1  0.667  0.333  0.500  1.0
[/CIF]
.