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 = 0.32 GPa
;
_database_code_amcsd 0020424
_chemical_compound_source 'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum 'Li Al Si4 O10'
_cell_length_a 11.2067
_cell_length_b 5.1228
_cell_length_c 11.7160
_cell_angle_alpha 90
_cell_angle_beta 141.2429
_cell_angle_gamma 90
_cell_volume 421.069
_exptl_crystal_density_diffrn      2.416
_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   0.00000   0.76100   0.25000   0.02600
Al1   0.00000   0.25490   0.25000   0.01010
Si1   0.28870   0.01610   0.79110   0.00920
Si2   0.29080   0.51370   0.64250   0.00990
O1   0.13240  -0.03420   0.77220   0.01540
O2   0.27010  -0.19310   0.67420   0.01290
O3   0.50000   0.00000   0.00000   0.02460
O4   0.25510   0.30730   0.71710   0.01780
O5   0.50000   0.46520   0.75000   0.03030
O6   0.13320   0.47770   0.42680   0.01330