data_global
_amcsd_formula_title 'NaAl(MoO4)2'
loop_
_publ_author_name
'Kolitsch U'
'Macka M'
'Hanuza J'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i10
_journal_page_last i13
_publ_section_title
;
 NaAl(MoO4)2: a rare structure type among layered yavapaiite-related AM(XO4)2 compounds
;
_database_code_amcsd 0010395
_chemical_formula_sum 'Na Al Mo2 O8'
_cell_length_a 9.621
_cell_length_b 5.3390
_cell_length_c 13.146
_cell_angle_alpha 90
_cell_angle_beta 90.01
_cell_angle_gamma 90
_cell_volume 675.264
_exptl_crystal_density_diffrn      3.638
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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_U_iso_or_equiv
Na   0.00000  -0.06850   0.25000   0.02320
Al   0.00000   0.00000   0.00000   0.00759
Mo   0.16968   0.46923   0.12212   0.00768
O1   0.08830   0.70700   0.05141   0.01600
O2   0.34454   0.42890   0.08134   0.01560
O3   0.07332   0.18280   0.11055   0.01280
O4   0.16751   0.56290   0.24701   0.02040
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.03290 0.02050 0.01640 0.00000 0.00500 0.00000
Al 0.00600 0.00780 0.00890 -0.00010 -0.00060 0.00080
Mo 0.00691 0.00757 0.00857 -0.00013 0.00015 0.00000
O1 0.01410 0.01040 0.02340 0.00140 -0.00370 0.00320
O2 0.00950 0.01810 0.01930 -0.00050 0.00340 0.00530
O3 0.01510 0.01040 0.01310 -0.00370 -0.00240 0.00030
O4 0.02490 0.02230 0.01390 -0.00010 -0.00080 -0.00590