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Gamma Alumina, M. Digne, P. Sautet, P. Raybaud, P. Euzen, H. Toulhoat, Journal of Catalysis 2004, 226, 54.
3X2X2X unit cells. The unit cell for this structure is rotated 45 degrees relative to the standard FCC unit cell (eg. Zhou and Snyder, 1991). As a result, the (010) surface of this unit cell corresponds to the (110) surface of the FCC unit cell. Pink aluminums (Al1), atoms are in octahedral sites, yellow aluminum atoms (Al2) are in tetrahedral sites, light blue (Al3) are in octahedral sites, purple aluminum atoms (Al4) are in tetrahedral sites, light green aluminums (Al5) are in octahedral sites, and light purple aluminas (Al6) are in octahedral sites. The .CIF file is listed below (copy and paste into text file with .CIF extension).
 data_GAMMA_publ


# 8. Phase information from GSAS

_pd_phase_name                         gamma
_cell_length_a                         5.587
_cell_length_b                         8.413
_cell_length_c                         8.068
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.59
_cell_angle_gamma                      90.0
_cell_volume                           379.20355
_symmetry_cell_setting                 monoclinic
_symmetry_space_group_name_H-M         "P 21/m"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y+1/2,-z 
      -1 -x,-y,-z 
      -2 +x,-y+1/2,+z 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Al
Al1_2e  0.377        0.75         0.126        1.0        Uiso   0.025         2
Al
Al2_2e  0.868        0.25         0.498        1.0        Uiso   0.025         2
Al
Al3_2e  0.875        0.75         0.125        1.0        Uiso   0.025         2
Al
Al4_2e  0.615        0.75         0.745        1.0        Uiso   0.025         2
Al
Al5_4f  0.367        0.075        0.612        1.0        Uiso   0.025         4
Al
Al6_4f  0.116        0.579        0.862        1.0        Uiso   0.025         4
O-
O1_2e   0.881        0.75         0.874        1.0        Uiso   0.025         2
O-
O2_2e   0.614        0.25         0.64         1.0        Uiso   0.025         2
O-
O3_2e   0.364        0.75         0.889        1.0        Uiso   0.025         2
O-
O4_2e   0.132        0.25         0.627        1.0        Uiso   0.025         2
O-
O5_4f   0.889        0.406        0.899        1.0        Uiso   0.025         4
O-
O6_4f   0.605        0.917        0.614        1.0        Uiso   0.025         4
O-
O7_4f   0.357        0.406        0.853        1.0        Uiso   0.025         4
O-
O8_4f   0.138        0.916        0.637        1.0        Uiso   0.025         4

loop_ _atom_type_symbol
      _atom_type_number_in_cell
                   O- 24.0        
                   Al 16.0        
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Al2 O3"
_chemical_formula_weight               101.96
_cell_formula_units_Z                  8


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