The material structure described by Sr2MnCrO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4MnCr octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4MnCr octahedra. The corner-sharing octahedral tilt angles range from 1-62°. is represented by the CIF card [CIF]
data_Sr2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   5.499
_cell_length_c   5.502
_cell_angle_alpha   89.930
_cell_angle_beta   89.999
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   115.985
_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
  Cr  Cr0  1  0.500  0.500  0.001  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  O  O2  1  1.000  0.500  1.000  1.0
  O  O3  1  1.000  1.000  0.501  1.0
  O  O4  1  0.500  0.750  0.748  1.0
  O  O5  1  0.500  0.248  0.251  1.0
  O  O6  1  0.500  0.249  0.748  1.0
  O  O7  1  0.500  0.751  0.251  1.0
  Sr  Sr8  1  0.000  0.000  1.000  1.0
  Sr  Sr9  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Sr2MnCrO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4MnCr octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cr(1), and one Mn(2) atom to form a mixture of distorted edge, face, and corner-sharing OSr4MnCr octahedra. The corner-sharing octahedral tilt angles range from 1-62°. is represented by the CIF card [CIF]
data_Sr2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   5.499
_cell_length_c   5.502
_cell_angle_alpha   89.930
_cell_angle_beta   89.999
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   115.985
_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
  Cr  Cr0  1  0.500  0.500  0.001  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  O  O2  1  1.000  0.500  1.000  1.0
  O  O3  1  1.000  1.000  0.501  1.0
  O  O4  1  0.500  0.750  0.748  1.0
  O  O5  1  0.500  0.248  0.251  1.0
  O  O6  1  0.500  0.249  0.748  1.0
  O  O7  1  0.500  0.751  0.251  1.0
  Sr  Sr8  1  0.000  0.000  1.000  1.0
  Sr  Sr9  1  0.000  0.500  0.500  1.0
[/CIF]
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