data_global
_chemical_name_mineral 'Petalite'
loop_
_publ_author_name
'Ross N L'
'Zhao J'
'Slebodnick C'
'Spencer E C'
'Chakoumakos B C'
_journal_name_full 'American Mineralogist'
_journal_volume 100 
_journal_year 2015
_journal_page_first 714
_journal_page_last 721
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.0001 GPa
;
_database_code_amcsd 0020423
_chemical_compound_source 'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum 'Li Al Si4 O10'
_cell_length_a 11.22955
_cell_length_b 5.1396
_cell_length_c 11.7514
_cell_angle_alpha 90
_cell_angle_beta 141.3120
_cell_angle_gamma 90
_cell_volume 423.952
_exptl_crystal_density_diffrn      2.399
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1   0.50000   0.75800   0.25000   0.01500
Al1   0.50000   0.25600   0.25000   0.00950
Si1   0.78870   0.01250   0.79120   0.00880
Si2   0.79000   0.50970   0.64220   0.00910
O1   0.63240  -0.03650   0.77220   0.01620
O2   0.76860  -0.19890   0.67600   0.01450
O3   0.00000   0.00000   0.00000   0.02640
O4   0.75390   0.30200   0.71440   0.01600
O5   0.00000   0.46410   0.75000   0.02510
O6   0.63650   0.47640   0.42800   0.01140