data_global
_chemical_name_mineral 'Beryl'
loop_
_publ_author_name
'Yakubivich O V'
'Pekov I V'
'Steele I M'
'Massa W'
'Chukanov N V'
_journal_name_full 'Crystallography Reports'
_journal_volume 54 
_journal_year 2009
_journal_page_first 399
_journal_page_last 412
_publ_section_title
;
 Alkali metals in beryl and their role in the formation of derivative structural motifs:
 Comparative crystal chemistry of vorobyevite and pezzottaite
 Note: T = 100 K
 Note: variety vorobyevite
 Note: Coordinates of O1 and O2 corrected by Yakubivich
;
_database_code_amcsd 0012414
_chemical_compound_source 'Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia'
_chemical_formula_sum 'Cs.079 O18.19 Na.419 (Li.66 Be2.34) Al2 Si6 H.38'
_cell_length_a 9.2101
_cell_length_b 9.2101
_cell_length_c 9.2179
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 677.160
_exptl_crystal_density_diffrn      2.745
_symmetry_space_group_name_H-M 'P 6/m c c'
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Cs   0.00000   0.00000   0.25000   0.07900   0.03220
Wat   0.00000   0.00000   0.25000   0.19000   0.03220
Na1   0.00000   0.00000   0.00000   0.15500   0.01400
Na2   0.20400   0.15900   0.23100   0.01000   0.04600
Na3   0.09500   0.11800   0.20100   0.01200   0.04600
Li   0.50000   0.00000   0.25000   0.22000   0.00900
Be   0.50000   0.00000   0.25000   0.78000   0.00900
Al   0.66667   0.33333   0.25000   1.00000   0.00820
Si   0.38846   0.11726   0.00000   1.00000   0.00830
O1   0.49888   0.14661   0.14500   1.00000   0.01070
O2   0.23580  -0.07170   0.00000   1.00000   0.01210