data_9002378
_chemical_name 'LiAlSiO4'
loop_
_publ_author_name
'Xu H'
'Heaney P J'
'Beall G H'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 971
_journal_page_last 979
_publ_section_title
;
 Phase transitions induced by solid solution in stuffed derivatives of quartz:
 A powder synchrotron XRD study of the LiAlSiO4-SiO2 join
 Sample: x=0, ordered LiAlSiO4, beta eucryptite structure
;
_chemical_formula_sum 'Li Si Al O4'
_cell_length_a 10.49710
_cell_length_b 10.49710
_cell_length_c 11.19513
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1068.313
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,x-y,1/3-z'
  'x-y,x,1/3+z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,-z'
  '-x,-y,z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  '-y,-x,2/3-z'
  'y,-x+y,2/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Li1   0.00000   0.00000   0.50000   0.02000
Li2   0.50000   0.00000   0.00000   0.02000
Li3   0.50000   0.00000   0.32760   0.02000
Si1   0.24770   0.00000   0.00000   0.00520
Si2   0.24710   0.49420   0.00000   0.00520
Al1   0.25040   0.00000   0.50000   0.00520
Al2   0.25060   0.50120   0.50000   0.00520
O1   0.11170   0.19900   0.24150   0.01070
O2   0.09720   0.69890   0.25900   0.01070
O3   0.59710   0.70480   0.26430   0.01070
O4   0.60760   0.20090   0.24860   0.01070