The material described by SrCrO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Cr(1)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cr(2)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Cr(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and face-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 5-60°. is represented by the CIF file [CIF]
data_SrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.505
_cell_length_c   13.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.209
_cell_formula_units_Z   6
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  0.333  0.667  0.091  1.0
  Sr  Sr1  1  0.000  0.000  0.250  1.0
  Sr  Sr2  1  0.000  0.000  0.750  1.0
  Sr  Sr3  1  0.333  0.667  0.409  1.0
  Sr  Sr4  1  0.667  0.333  0.591  1.0
  Sr  Sr5  1  0.667  0.333  0.909  1.0
  Cr  Cr6  1  0.333  0.667  0.843  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.333  0.667  0.657  1.0
  Cr  Cr10  1  0.667  0.333  0.157  1.0
  Cr  Cr11  1  0.667  0.333  0.343  1.0
  O  O12  1  0.164  0.329  0.582  1.0
  O  O13  1  0.164  0.329  0.918  1.0
  O  O14  1  0.487  0.513  0.750  1.0
  O  O15  1  0.671  0.836  0.582  1.0
  O  O16  1  0.671  0.836  0.918  1.0
  O  O17  1  0.025  0.513  0.750  1.0
  O  O18  1  0.487  0.975  0.750  1.0
  O  O19  1  0.164  0.836  0.582  1.0
  O  O20  1  0.164  0.836  0.918  1.0
  O  O21  1  0.836  0.164  0.082  1.0
  O  O22  1  0.836  0.164  0.418  1.0
  O  O23  1  0.513  0.025  0.250  1.0
  O  O24  1  0.975  0.487  0.250  1.0
  O  O25  1  0.329  0.164  0.082  1.0
  O  O26  1  0.329  0.164  0.418  1.0
  O  O27  1  0.513  0.487  0.250  1.0
  O  O28  1  0.836  0.671  0.418  1.0
  O  O29  1  0.836  0.671  0.082  1.0
[/CIF]
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The material described by SrCrO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Cr(1)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Cr(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Sr site, Sr(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cr(2)O6 octahedra, and faces with six equivalent Cr(1)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Cr(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms to form a mixture of distorted corner and face-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 5-60°. is represented by the CIF file [CIF]
data_SrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.505
_cell_length_c   13.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   355.209
_cell_formula_units_Z   6
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  0.333  0.667  0.091  1.0
  Sr  Sr1  1  0.000  0.000  0.250  1.0
  Sr  Sr2  1  0.000  0.000  0.750  1.0
  Sr  Sr3  1  0.333  0.667  0.409  1.0
  Sr  Sr4  1  0.667  0.333  0.591  1.0
  Sr  Sr5  1  0.667  0.333  0.909  1.0
  Cr  Cr6  1  0.333  0.667  0.843  1.0
  Cr  Cr7  1  0.000  0.000  0.000  1.0
  Cr  Cr8  1  0.000  0.000  0.500  1.0
  Cr  Cr9  1  0.333  0.667  0.657  1.0
  Cr  Cr10  1  0.667  0.333  0.157  1.0
  Cr  Cr11  1  0.667  0.333  0.343  1.0
  O  O12  1  0.164  0.329  0.582  1.0
  O  O13  1  0.164  0.329  0.918  1.0
  O  O14  1  0.487  0.513  0.750  1.0
  O  O15  1  0.671  0.836  0.582  1.0
  O  O16  1  0.671  0.836  0.918  1.0
  O  O17  1  0.025  0.513  0.750  1.0
  O  O18  1  0.487  0.975  0.750  1.0
  O  O19  1  0.164  0.836  0.582  1.0
  O  O20  1  0.164  0.836  0.918  1.0
  O  O21  1  0.836  0.164  0.082  1.0
  O  O22  1  0.836  0.164  0.418  1.0
  O  O23  1  0.513  0.025  0.250  1.0
  O  O24  1  0.975  0.487  0.250  1.0
  O  O25  1  0.329  0.164  0.082  1.0
  O  O26  1  0.329  0.164  0.418  1.0
  O  O27  1  0.513  0.487  0.250  1.0
  O  O28  1  0.836  0.671  0.418  1.0
  O  O29  1  0.836  0.671  0.082  1.0
[/CIF]
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