data_global
_amcsd_formula_title 'AlNbO4'
loop_
_publ_author_name
'Ardit M'
'Dondi M'
'Cruciani G'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 910
_journal_page_last 917
_publ_section_title
;
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N12
;
_database_code_amcsd 0019053
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al.875 Nb O4 Cr.125'
_cell_length_a 12.1724
_cell_length_b 3.7550
_cell_length_c 6.4957
_cell_angle_alpha 90
_cell_angle_beta 107.67
_cell_angle_gamma 90
_cell_volume 282.894
_exptl_crystal_density_diffrn      4.391
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1   0.19627   0.00000   0.30561   0.80000   0.01510
Nb1   0.19627   0.00000   0.30561   0.20000   0.01510
Al2   0.10306   0.00000   0.73272   0.07500   0.00611
Nb2   0.10306   0.00000   0.73272   0.80000   0.00611
O1   0.13700   0.00000   0.01460   1.00000   0.01460
O2   0.05720   0.00000   0.36600   1.00000   0.01120
O3   0.36040   0.00000   0.29550   1.00000   0.02230
O4   0.26220   0.00000   0.64710   1.00000   0.00890
Cr2   0.10306   0.00000   0.73272   0.12500   0.00611