data_9004599
_chemical_name 'Sogdianite'
loop_
_publ_author_name
'Sokolova E V'
'Hawthorne F C'
'Pautov L A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 38
_journal_year 2000
_journal_page_first 853
_journal_page_last 859
_publ_section_title
;
 The crystal chemistry of Li-bearing minerals with the milarite-type structure:
 The crystal structure of end-member sogdianite
;
_chemical_formula_sum 'Zr2 K Si12 Li3 O30'
_cell_length_a 10.1240
_cell_length_b 10.1240
_cell_length_c 14.3198
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1271.077
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,1/2+z'
  '-x,-x+y,1/2-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,1/2+z'
  'x-y,-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_Uiso_or_equiv
Zr   0.33333   0.66667   0.25000   0.00610
K   0.00000   0.00000   0.25000   0.02170
Si   0.11184   0.35135   0.10941   0.00730
Li   0.00000   0.50000   0.25000   0.01410
O   0.12460   0.39110   0.00000   0.01640
O   0.21790   0.27790   0.13483   0.01380
O   0.15650   0.49830   0.17173   0.01010