The structure described by MgAlO2F5 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MgO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 38°. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. O(1) is bonded in a single-bond geometry to one Mg(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_MgAlO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   121.151
_cell_angle_beta   120.773
_cell_angle_gamma   88.342
_symmetry_Int_Tables_number   1
_cell_volume   256.677
_cell_formula_units_Z   2
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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.646  0.886  0.760  1.0
  O  O5  1  0.354  0.114  0.240  1.0
  O  O6  1  0.625  0.386  0.240  1.0
  O  O7  1  0.375  0.614  0.760  1.0
  F  F8  1  0.954  0.180  0.380  1.0
  F  F9  1  0.046  0.426  0.226  1.0
  F  F10  1  0.300  0.680  0.226  1.0
  F  F11  1  0.700  0.926  0.380  1.0
  F  F12  1  0.046  0.820  0.620  1.0
  F  F13  1  0.954  0.574  0.774  1.0
  F  F14  1  0.700  0.320  0.774  1.0
  F  F15  1  0.300  0.074  0.620  1.0
  F  F16  1  0.075  0.250  0.825  1.0
  F  F17  1  0.925  0.750  0.175  1.0
[/CIF]
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The structure described by MgAlO2F5 crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form MgO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 38°. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. O(1) is bonded in a single-bond geometry to one Mg(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_MgAlO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.169
_cell_length_b   7.169
_cell_length_c   7.169
_cell_angle_alpha   121.151
_cell_angle_beta   120.773
_cell_angle_gamma   88.342
_symmetry_Int_Tables_number   1
_cell_volume   256.677
_cell_formula_units_Z   2
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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.646  0.886  0.760  1.0
  O  O5  1  0.354  0.114  0.240  1.0
  O  O6  1  0.625  0.386  0.240  1.0
  O  O7  1  0.375  0.614  0.760  1.0
  F  F8  1  0.954  0.180  0.380  1.0
  F  F9  1  0.046  0.426  0.226  1.0
  F  F10  1  0.300  0.680  0.226  1.0
  F  F11  1  0.700  0.926  0.380  1.0
  F  F12  1  0.046  0.820  0.620  1.0
  F  F13  1  0.954  0.574  0.774  1.0
  F  F14  1  0.700  0.320  0.774  1.0
  F  F15  1  0.300  0.074  0.620  1.0
  F  F16  1  0.075  0.250  0.825  1.0
  F  F17  1  0.925  0.750  0.175  1.0
[/CIF]
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