The compound described by Sr2MgHfCrO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Hf(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Cr(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and one Hf(1) atom to form distorted OSr4Hf trigonal bipyramids that share corners with five equivalent O(1)Sr4Hf trigonal bipyramids, corners with twelve equivalent O(2)Sr2HfMgCr trigonal bipyramids, edges with four equivalent O(2)Sr2HfMgCr trigonal bipyramids, and edges with four equivalent O(1)Sr4Hf trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Hf(1), and one Cr(1) atom to form distorted OSr2HfMgCr trigonal bipyramids that share corners with three equivalent O(2)Sr2HfMgCr trigonal bipyramids, corners with six equivalent O(1)Sr4Hf trigonal bipyramids, edges with two equivalent O(1)Sr4Hf trigonal bipyramids, edges with three equivalent O(2)Sr2HfMgCr trigonal bipyramids, and faces with two equivalent O(2)Sr2HfMgCr trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2HfMgCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   76.087
_cell_angle_beta   128.713
_cell_angle_gamma   127.954
_symmetry_Int_Tables_number   1
_cell_volume   169.111
_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  0.321  0.821  1.0
  Sr  Sr1  1  0.500  0.679  0.179  1.0
  Hf  Hf2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.296  0.296  1.0
  O  O6  1  1.000  0.704  0.704  1.0
  O  O7  1  0.491  0.244  0.247  1.0
  O  O8  1  0.509  0.756  0.753  1.0
  O  O9  1  0.004  0.756  0.247  1.0
  O  O10  1  0.996  0.244  0.753  1.0
[/CIF]
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The compound described by Sr2MgHfCrO6 crystallizes in the orthorhombic Immm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Hf(1) is bonded in an octahedral geometry to two equivalent O(1) and four equivalent O(2) atoms. Cr(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and one Hf(1) atom to form distorted OSr4Hf trigonal bipyramids that share corners with five equivalent O(1)Sr4Hf trigonal bipyramids, corners with twelve equivalent O(2)Sr2HfMgCr trigonal bipyramids, edges with four equivalent O(2)Sr2HfMgCr trigonal bipyramids, and edges with four equivalent O(1)Sr4Hf trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Hf(1), and one Cr(1) atom to form distorted OSr2HfMgCr trigonal bipyramids that share corners with three equivalent O(2)Sr2HfMgCr trigonal bipyramids, corners with six equivalent O(1)Sr4Hf trigonal bipyramids, edges with two equivalent O(1)Sr4Hf trigonal bipyramids, edges with three equivalent O(2)Sr2HfMgCr trigonal bipyramids, and faces with two equivalent O(2)Sr2HfMgCr trigonal bipyramids. is represented by the CIF file [CIF]
data_Sr2HfMgCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.563
_cell_length_c   6.563
_cell_angle_alpha   76.087
_cell_angle_beta   128.713
_cell_angle_gamma   127.954
_symmetry_Int_Tables_number   1
_cell_volume   169.111
_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  0.321  0.821  1.0
  Sr  Sr1  1  0.500  0.679  0.179  1.0
  Hf  Hf2  1  0.000  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.296  0.296  1.0
  O  O6  1  1.000  0.704  0.704  1.0
  O  O7  1  0.491  0.244  0.247  1.0
  O  O8  1  0.509  0.756  0.753  1.0
  O  O9  1  0.004  0.756  0.247  1.0
  O  O10  1  0.996  0.244  0.753  1.0
[/CIF]
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