data_global
_chemical_name_mineral 'Ussingite'
loop_
_publ_author_name
'Rossi G'
'Tazzoli V'
'Ungaretti L'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 335
_journal_page_last 340
_publ_section_title
;
 The crystal structure of ussingite
;
_database_code_amcsd 399
_chemical_compound_source 'Lovozero alkali massif, Russia'
_chemical_formula_sum 'Al Si3 Na2 H O9'
_cell_length_a 7.256
_cell_length_b 7.686
_cell_length_c 8.683
_cell_angle_alpha 90.75
_cell_angle_beta 99.75
_cell_angle_gamma 122.48
_cell_volume 399.436
_exptl_crystal_density_diffrn  2.513
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al   0.2422  0.0457  0.8551
Si1   0.2463  0.1935  0.3626
Si2   0.3203  0.4147  0.6924
Si3   0.7014  0.1041  0.8129
Na1   0.1759  0.3924  0.0555
Na2   0.8214  0.2342  0.4421
H   0.979  0.405  0.765
O1   0.0021  0.1358  0.2792
O2   0.1419  0.4749  0.6515
O3   0.2767  -0.0021  0.3473
O4   0.301  0.297  0.8489
O5   0.4442  0.0224  0.7955
O6   0.4231  0.3818  0.2768
O7   0.798  0.0344  0.9625
O8   0.858  0.3557  0.821
O9   0.2973  0.2604  0.5485
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
Al   0.00688  0.00937  0.00898  0.00431  0.0022  0.0021
Si1   0.00658  0.00801  0.00921  0.00355  0.00169  0.00121
Si2   0.00856  0.00847  0.00777  0.00379  0.0025  0.00186
Si3   0.00586  0.01064  0.00889  0.00537  0.00434  0.00284
Na1   0.02672  0.02481  0.01958  0.01665  0.00395  0.0006
Na2   0.02791  0.02109  0.01696  0.01544  0.00549  0.00457
O1   0.01258  0.01546  0.02224  0.00731  0.00272  -0.00029
O2   0.01619  0.02131  0.02211  0.0117  0.00593  0.00809
O3   0.01791  0.01491  0.01129  0.0108  0.00344  0.00207
O4   0.01541  0.01277  0.01137  0.00709  0.00312  0.00165
O5   0.01321  0.01959  0.02036  0.00964  0.00357  0.00212
O6   0.0131  0.01666  0.01492  0.00494  0.00504  0.00467
O7   0.02389  0.03018  0.01395  0.0195  0.00585  0.00789
O8   0.01621  0.01437  0.02431  0.0054  0.00844  0.0
O9   0.02884  0.01974  0.01048  0.01419  0.0032  0.00179