The compound described by BaLa2TiCr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), and eight equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. La(1) is bonded to one O(1), three equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Ba(1), three equivalent La(1), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OBaLa3Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), one Ti(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa2TiCr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   5.641
_cell_length_c   8.820
_cell_angle_alpha   108.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.629
_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
  Ba  Ba0  1  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.167  0.334  1.0
  Cr  Cr2  1  0.500  0.833  0.666  1.0
  La  La3  1  1.000  0.671  0.343  1.0
  La  La4  1  0.000  0.329  0.657  1.0
  O  O5  1  0.000  0.500  1.000  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  1.000  0.500  1.0
  O  O8  1  1.000  0.825  0.650  1.0
  O  O9  1  0.000  0.175  0.350  1.0
  O  O10  1  0.500  0.177  0.827  1.0
  O  O11  1  0.500  0.823  0.173  1.0
  O  O12  1  0.500  0.650  0.827  1.0
  O  O13  1  0.500  0.350  0.173  1.0
  Ti  Ti14  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by BaLa2TiCr2O9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), and eight equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. La(1) is bonded to one O(1), three equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent La(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded to one Ba(1), three equivalent La(1), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OBaLa3Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), one Ti(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLa2TiCr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.959
_cell_length_b   5.641
_cell_length_c   8.820
_cell_angle_alpha   108.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   186.629
_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
  Ba  Ba0  1  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.500  0.167  0.334  1.0
  Cr  Cr2  1  0.500  0.833  0.666  1.0
  La  La3  1  1.000  0.671  0.343  1.0
  La  La4  1  0.000  0.329  0.657  1.0
  O  O5  1  0.000  0.500  1.000  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.500  1.000  0.500  1.0
  O  O8  1  1.000  0.825  0.650  1.0
  O  O9  1  0.000  0.175  0.350  1.0
  O  O10  1  0.500  0.177  0.827  1.0
  O  O11  1  0.500  0.823  0.173  1.0
  O  O12  1  0.500  0.650  0.827  1.0
  O  O13  1  0.500  0.350  0.173  1.0
  Ti  Ti14  1  0.500  0.500  0.000  1.0
[/CIF]
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