The compound described by SrLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent La(3), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(3), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_SrLa3Cr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   7.871
_cell_length_c   5.578
_cell_angle_alpha   89.999
_cell_angle_beta   90.003
_cell_angle_gamma   90.971
_symmetry_Int_Tables_number   1
_cell_volume   241.996
_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
  Sr  Sr0  1  0.500  0.250  0.002  1.0
  La  La1  1  0.000  0.750  0.496  1.0
  La  La2  1  0.500  0.750  0.001  1.0
  La  La3  1  1.000  0.250  0.501  1.0
  Cr  Cr4  1  1.000  0.001  0.999  1.0
  Cr  Cr5  1  0.500  0.001  0.500  1.0
  Cr  Cr6  1  0.000  0.499  0.999  1.0
  Cr  Cr7  1  0.500  0.499  0.500  1.0
  O  O8  1  1.000  0.750  0.061  1.0
  O  O9  1  0.500  0.250  0.553  1.0
  O  O10  1  0.000  0.250  0.933  1.0
  O  O11  1  0.500  0.750  0.436  1.0
  O  O12  1  0.218  0.535  0.718  1.0
  O  O13  1  0.782  0.965  0.718  1.0
  O  O14  1  0.722  0.024  0.223  1.0
  O  O15  1  0.277  0.476  0.223  1.0
  O  O16  1  0.720  0.537  0.780  1.0
  O  O17  1  0.280  0.963  0.779  1.0
  O  O18  1  0.211  0.027  0.289  1.0
  O  O19  1  0.789  0.473  0.289  1.0
[/CIF]
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The compound described by SrLa3Cr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. In the second Cr site, Cr(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent La(3), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(3), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1), one La(2), one La(3), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(1), one La(1), one La(2), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one La(1), one La(3), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_SrLa3Cr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   7.871
_cell_length_c   5.578
_cell_angle_alpha   89.999
_cell_angle_beta   90.003
_cell_angle_gamma   90.971
_symmetry_Int_Tables_number   1
_cell_volume   241.996
_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
  Sr  Sr0  1  0.500  0.250  0.002  1.0
  La  La1  1  0.000  0.750  0.496  1.0
  La  La2  1  0.500  0.750  0.001  1.0
  La  La3  1  1.000  0.250  0.501  1.0
  Cr  Cr4  1  1.000  0.001  0.999  1.0
  Cr  Cr5  1  0.500  0.001  0.500  1.0
  Cr  Cr6  1  0.000  0.499  0.999  1.0
  Cr  Cr7  1  0.500  0.499  0.500  1.0
  O  O8  1  1.000  0.750  0.061  1.0
  O  O9  1  0.500  0.250  0.553  1.0
  O  O10  1  0.000  0.250  0.933  1.0
  O  O11  1  0.500  0.750  0.436  1.0
  O  O12  1  0.218  0.535  0.718  1.0
  O  O13  1  0.782  0.965  0.718  1.0
  O  O14  1  0.722  0.024  0.223  1.0
  O  O15  1  0.277  0.476  0.223  1.0
  O  O16  1  0.720  0.537  0.780  1.0
  O  O17  1  0.280  0.963  0.779  1.0
  O  O18  1  0.211  0.027  0.289  1.0
  O  O19  1  0.789  0.473  0.289  1.0
[/CIF]
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