The material structure described by Sr4La4Cr(NiO5)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. Cr(1) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(6), one O(7), and two equivalent O(1) atoms to form corner-sharing NiO5 square pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(2), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1), one La(1), two equivalent La(2), and one Ni(1) atom to form distorted OSr2La3Ni octahedra that share  a cornercorner with one O(9)Sr2La2Cr2 octahedra,  a cornercorner with one O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with five equivalent O(6)Sr3La2Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, and  a faceface with one O(7)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-53°. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), two equivalent La(1), and one Ni(2) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(3)Sr3La2Ni octahedra, corners with four equivalent O(9)Sr2La2Cr2 octahedra, corners with four equivalent O(5)Sr2La2CrNi octahedra, corners with four equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, faces with two equivalent O(5)Sr2La2CrNi octahedra, and faces with two equivalent O(4)Sr2La2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent La(1), and two equivalent Ni(2) atoms to form OSr2La2Ni2 octahedra that share corners with two equivalent O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with eight equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(9)Sr2La2Cr2 octahedra, faces with four equivalent O(5)Sr2La2CrNi octahedra, and faces with four equivalent O(3)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to two equivalent Sr(2), two equivalent La(1), one Cr(1), and one Ni(2) atom to form distorted OSr2La2CrNi octahedra that share corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with four equivalent O(8)Sr2La3Cr octahedra, corners with four equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr2La2CrNi octahedra, faces with two equivalent O(9)Sr2La2Cr2 octahedra, faces with two equivalent O(4)Sr2La2Ni2 octahedra, faces with two equivalent O(8)Sr2La3Cr octahedra, and faces with two equivalent O(3)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the sixth O site, O(6) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(2), and one Ni(1) atom to form OSr3La2Ni octahedra that share  a cornercorner with one O(9)Sr2La2Cr2 octahedra,  a cornercorner with one O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with five equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, and  a faceface with one O(7)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the seventh O site, O(7) is bonded to four equivalent La(2) and two equivalent Ni(1) atoms to form distorted OLa4Ni2 octahedra that share corners with four equivalent O(8)Sr2La3Cr octahedra, corners with four equivalent O(2)Sr2La3Ni octahedra, corners with four equivalent O(6)Sr3La2Ni octahedra, edges with two equivalent O(7)La4Ni2 octahedra, faces with two equivalent O(2)Sr2La3Ni octahedra, and faces with two equivalent O(6)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the eighth O site, O(8) is bonded to two equivalent Sr(2), one La(2), two equivalent La(1), and one Cr(1) atom to form distorted OSr2La3Cr octahedra that share  a cornercorner with one O(8)Sr2La3Cr octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with four equivalent O(5)Sr2La2CrNi octahedra, corners with four equivalent O(4)Sr2La2Ni2 octahedra, corners with four equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, faces with two equivalent O(9)Sr2La2Cr2 octahedra, and faces with two equivalent O(5)Sr2La2CrNi octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the ninth O site, O(9) is bonded to two equivalent Sr(2), two equivalent La(1), and two equivalent Cr(1) atoms to form distorted OSr2La2Cr2 octahedra that share corners with two equivalent O(9)Sr2La2Cr2 octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with eight equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(4)Sr2La2Ni2 octahedra, faces with four equivalent O(5)Sr2La2CrNi octahedra, and faces with four equivalent O(8)Sr2La3Cr octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4La4Cr(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.704
_cell_length_b   3.845
_cell_length_c   13.307
_cell_angle_alpha   106.764
_cell_angle_beta   89.556
_cell_angle_gamma   89.840
_symmetry_Int_Tables_number   1
_cell_volume   377.396
_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  0.246  0.652  0.151  1.0
  Sr  Sr1  1  0.254  0.348  0.849  1.0
  Sr  Sr2  1  0.496  0.640  0.640  1.0
  Sr  Sr3  1  0.004  0.360  0.360  1.0
  La  La4  1  0.005  0.638  0.637  1.0
  La  La5  1  0.495  0.362  0.363  1.0
  La  La6  1  0.754  0.648  0.142  1.0
  La  La7  1  0.746  0.352  0.858  1.0
  Cr  Cr8  1  0.750  0.000  0.500  1.0
  Ni  Ni9  1  0.001  0.997  0.998  1.0
  Ni  Ni10  1  0.250  0.000  0.500  1.0
  Ni  Ni11  1  0.499  0.003  0.002  1.0
  O  O12  1  0.038  0.495  0.996  1.0
  O  O13  1  0.990  0.827  0.823  1.0
  O  O14  1  0.265  0.839  0.339  1.0
  O  O15  1  0.250  0.500  0.500  1.0
  O  O16  1  0.235  0.161  0.661  1.0
  O  O17  1  0.462  0.505  0.004  1.0
  O  O18  1  0.510  0.173  0.177  1.0
  O  O19  1  0.504  0.997  0.496  1.0
  O  O20  1  0.506  0.838  0.833  1.0
  O  O21  1  0.750  0.000  0.000  1.0
  O  O22  1  0.744  0.832  0.331  1.0
  O  O23  1  0.750  0.500  0.500  1.0
  O  O24  1  0.756  0.168  0.669  1.0
  O  O25  1  0.994  0.162  0.167  1.0
  O  O26  1  0.996  0.003  0.504  1.0
[/CIF]
.
The material structure described by Sr4La4Cr(NiO5)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(9), two equivalent O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. Cr(1) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(6), one O(7), and two equivalent O(1) atoms to form corner-sharing NiO5 square pyramids. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent La(2), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1), one La(1), two equivalent La(2), and one Ni(1) atom to form distorted OSr2La3Ni octahedra that share  a cornercorner with one O(9)Sr2La2Cr2 octahedra,  a cornercorner with one O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with five equivalent O(6)Sr3La2Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, and  a faceface with one O(7)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-53°. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), two equivalent La(1), and one Ni(2) atom to form distorted OSr3La2Ni octahedra that share  a cornercorner with one O(3)Sr3La2Ni octahedra, corners with four equivalent O(9)Sr2La2Cr2 octahedra, corners with four equivalent O(5)Sr2La2CrNi octahedra, corners with four equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, faces with two equivalent O(5)Sr2La2CrNi octahedra, and faces with two equivalent O(4)Sr2La2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent La(1), and two equivalent Ni(2) atoms to form OSr2La2Ni2 octahedra that share corners with two equivalent O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with eight equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(9)Sr2La2Cr2 octahedra, faces with four equivalent O(5)Sr2La2CrNi octahedra, and faces with four equivalent O(3)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the fifth O site, O(5) is bonded to two equivalent Sr(2), two equivalent La(1), one Cr(1), and one Ni(2) atom to form distorted OSr2La2CrNi octahedra that share corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with four equivalent O(8)Sr2La3Cr octahedra, corners with four equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(5)Sr2La2CrNi octahedra, faces with two equivalent O(9)Sr2La2Cr2 octahedra, faces with two equivalent O(4)Sr2La2Ni2 octahedra, faces with two equivalent O(8)Sr2La3Cr octahedra, and faces with two equivalent O(3)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the sixth O site, O(6) is bonded to one Sr(2), two equivalent Sr(1), two equivalent La(2), and one Ni(1) atom to form OSr3La2Ni octahedra that share  a cornercorner with one O(9)Sr2La2Cr2 octahedra,  a cornercorner with one O(4)Sr2La2Ni2 octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with two equivalent O(5)Sr2La2CrNi octahedra, corners with five equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, and  a faceface with one O(7)La4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 4-52°. In the seventh O site, O(7) is bonded to four equivalent La(2) and two equivalent Ni(1) atoms to form distorted OLa4Ni2 octahedra that share corners with four equivalent O(8)Sr2La3Cr octahedra, corners with four equivalent O(2)Sr2La3Ni octahedra, corners with four equivalent O(6)Sr3La2Ni octahedra, edges with two equivalent O(7)La4Ni2 octahedra, faces with two equivalent O(2)Sr2La3Ni octahedra, and faces with two equivalent O(6)Sr3La2Ni octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the eighth O site, O(8) is bonded to two equivalent Sr(2), one La(2), two equivalent La(1), and one Cr(1) atom to form distorted OSr2La3Cr octahedra that share  a cornercorner with one O(8)Sr2La3Cr octahedra, corners with two equivalent O(7)La4Ni2 octahedra, corners with four equivalent O(5)Sr2La2CrNi octahedra, corners with four equivalent O(4)Sr2La2Ni2 octahedra, corners with four equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(8)Sr2La3Cr octahedra, edges with two equivalent O(2)Sr2La3Ni octahedra, edges with two equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(6)Sr3La2Ni octahedra, faces with two equivalent O(9)Sr2La2Cr2 octahedra, and faces with two equivalent O(5)Sr2La2CrNi octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the ninth O site, O(9) is bonded to two equivalent Sr(2), two equivalent La(1), and two equivalent Cr(1) atoms to form distorted OSr2La2Cr2 octahedra that share corners with two equivalent O(9)Sr2La2Cr2 octahedra, corners with two equivalent O(2)Sr2La3Ni octahedra, corners with two equivalent O(6)Sr3La2Ni octahedra, corners with eight equivalent O(3)Sr3La2Ni octahedra, edges with two equivalent O(4)Sr2La2Ni2 octahedra, faces with four equivalent O(5)Sr2La2CrNi octahedra, and faces with four equivalent O(8)Sr2La3Cr octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4La4Cr(NiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.704
_cell_length_b   3.845
_cell_length_c   13.307
_cell_angle_alpha   106.764
_cell_angle_beta   89.556
_cell_angle_gamma   89.840
_symmetry_Int_Tables_number   1
_cell_volume   377.396
_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  0.246  0.652  0.151  1.0
  Sr  Sr1  1  0.254  0.348  0.849  1.0
  Sr  Sr2  1  0.496  0.640  0.640  1.0
  Sr  Sr3  1  0.004  0.360  0.360  1.0
  La  La4  1  0.005  0.638  0.637  1.0
  La  La5  1  0.495  0.362  0.363  1.0
  La  La6  1  0.754  0.648  0.142  1.0
  La  La7  1  0.746  0.352  0.858  1.0
  Cr  Cr8  1  0.750  0.000  0.500  1.0
  Ni  Ni9  1  0.001  0.997  0.998  1.0
  Ni  Ni10  1  0.250  0.000  0.500  1.0
  Ni  Ni11  1  0.499  0.003  0.002  1.0
  O  O12  1  0.038  0.495  0.996  1.0
  O  O13  1  0.990  0.827  0.823  1.0
  O  O14  1  0.265  0.839  0.339  1.0
  O  O15  1  0.250  0.500  0.500  1.0
  O  O16  1  0.235  0.161  0.661  1.0
  O  O17  1  0.462  0.505  0.004  1.0
  O  O18  1  0.510  0.173  0.177  1.0
  O  O19  1  0.504  0.997  0.496  1.0
  O  O20  1  0.506  0.838  0.833  1.0
  O  O21  1  0.750  0.000  0.000  1.0
  O  O22  1  0.744  0.832  0.331  1.0
  O  O23  1  0.750  0.500  0.500  1.0
  O  O24  1  0.756  0.168  0.669  1.0
  O  O25  1  0.994  0.162  0.167  1.0
  O  O26  1  0.996  0.003  0.504  1.0
[/CIF]
.