data_9002383
_chemical_name 'Li.1Al.1Si1.9O4'
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=.9, Li.1Al.1Si1.9O4, alpha quartz structure
;
_chemical_formula_sum 'Li.05 (Si.95 Al.05) O2'
_cell_length_a 4.9567
_cell_length_b 4.9567
_cell_length_c 5.4164
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 115.246
_symmetry_space_group_name_H-M 'P 32 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,2/3+z'
  '-x,-x+y,2/3-z'
  '-x+y,-x,1/3+z'
  'x-y,-y,1/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Li   0.00000   0.00000   0.00000   0.05000 ?
Si   0.52480   0.00000   0.66667   0.95000   0.01310
Al   0.52480   0.00000   0.66667   0.05000   0.01310
O   0.58870   0.74350   0.79400   1.00000   0.02000