#============================================================
# CIF generated by M. Suchomel at APS/ANL (2014)
# using NIST information for Standard Reference Material 676a
# Alumina powder (Corundum structure) 
#============================================================
data_Al2O3
_chemical_formula_structural 'Al2 O3'
_chemical_formula_sum 'Al2 O3'
_cell_length_a 4.75909
_cell_length_b 4.75909
_cell_length_c 12.99178
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_formula_units_Z 6
_symmetry_space_group_name_H-M 'R -3 c'
_symmetry_Int_Tables_number 167
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al3+ 12 c 0     0.3522 0.0033 1.0
O  O2-  18 e 0.694 0.25    0.0039 1.0


