data_global
_chemical_name_mineral 'Leifite'
loop_
_publ_author_name
'Armstrong J A'
'Friis H'
'Lieb A'
'Finch A A'
'Weller M T'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 519
_journal_page_last 526
_publ_section_title
;
 Combined single-crystal X-ray and neutron powder diffraction structure analysis
 exemplified through full structure determinations of
 framework and layer beryllate minerals
;
_database_code_amcsd 0005040
_chemical_compound_source 'Vesle Aroya, Langesundsfjord, Norway'
_chemical_formula_sum 'Na6.2 K.46 Si15.34 Al2.66 Be2 O39 F2'
_cell_length_a 14.3446
_cell_length_b 14.3446
_cell_length_c 4.8455
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 863.468
_exptl_crystal_density_diffrn      2.583
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-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
Na1   0.75080   0.24920   0.20190   1.00000   0.01395
K1Na2   0.00000   0.00000   0.00000   0.46000   0.00953
Na2O6   0.00000   0.00000   0.50000   0.20000   0.03000
Si1A   0.00000   0.21634   0.50000   0.55670   0.01242
Al1B   0.00000   0.21634   0.50000   0.44330   0.01242
Si2   0.00000   0.34374   0.00000   1.00000   0.01243
Si3   0.44746   0.55254   0.30616   1.00000   0.00777
Be1   0.33333   0.66667   0.36850   1.00000   0.01543
O1   0.10022   0.89978   0.39030   1.00000   0.02148
O2   0.30901   0.26112   0.24950   1.00000   0.01413
O3   0.35849   0.45743   0.10260   1.00000   0.00813
O4   0.50000   0.00000   0.50000   1.00000   0.01099
O5   0.39389   0.60612   0.48350   1.00000   0.00718
F   0.33333   0.66667   0.03970   1.00000   0.01015
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.01400 0.01400 0.01300 0.00600 0.00090 -0.00090
K1Na2 0.01300 0.01300 0.00300 0.00600 0.00000 0.00000
Na2O6 0.01300 0.01300 0.00300 0.00600 0.00000 0.00000
Si1A 0.00900 0.00580 0.01370 -0.00320 -0.00150 -0.00080
Al1B 0.00900 0.00580 0.01370 -0.00320 -0.00150 -0.00080
Si2 0.01100 0.01080 0.01540 0.00560 -0.00020 -0.00010
Si3 0.00830 0.00830 0.00790 0.00510 0.00000 0.00000
Be1 0.02000 0.02000 0.00600 0.01000 0.00000 0.00000
O1 0.01800 0.01800 0.01200 -0.00400 -0.00090 0.00090
O2 0.01700 0.00800 0.01700 0.00550 0.00670 0.00440
O3 0.00900 0.00900 0.01200 0.00900 0.00100 -0.00160
O4 0.01400 0.01300 0.00600 0.00700 0.00240 0.00500
O5 0.00800 0.00800 0.00700 0.00500 0.00220 -0.00220
F 0.01200 0.01200 0.00800 0.00570 0.00000 0.00000