The compound described by MgAlCrO4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing CrO6 octahedra. Al(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_MgAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.943
_cell_length_c   5.180
_cell_angle_alpha   77.518
_cell_angle_beta   104.338
_cell_angle_gamma   150.810
_symmetry_Int_Tables_number   1
_cell_volume   75.452
_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
  Mg  Mg0  1  0.202  0.499  0.298  1.0
  Al  Al1  1  0.416  0.999  0.587  1.0
  Cr  Cr2  1  0.532  0.499  0.971  1.0
  O  O3  1  0.201  0.999  0.803  1.0
  O  O4  1  0.180  0.499  0.683  1.0
  O  O5  1  0.857  0.999  0.146  1.0
  O  O6  1  0.819  0.499  0.323  1.0
[/CIF]
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The compound described by MgAlCrO4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form edge-sharing CrO6 octahedra. Al(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_MgAlCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.188
_cell_length_b   5.943
_cell_length_c   5.180
_cell_angle_alpha   77.518
_cell_angle_beta   104.338
_cell_angle_gamma   150.810
_symmetry_Int_Tables_number   1
_cell_volume   75.452
_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
  Mg  Mg0  1  0.202  0.499  0.298  1.0
  Al  Al1  1  0.416  0.999  0.587  1.0
  Cr  Cr2  1  0.532  0.499  0.971  1.0
  O  O3  1  0.201  0.999  0.803  1.0
  O  O4  1  0.180  0.499  0.683  1.0
  O  O5  1  0.857  0.999  0.146  1.0
  O  O6  1  0.819  0.499  0.323  1.0
[/CIF]
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