data_global
_chemical_name_mineral 'Levyne-Ca'
loop_
_publ_author_name
'Sacerdoti M'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1996 
_journal_year 1996
_journal_page_first 114
_journal_page_last 124
_publ_section_title
;
 New refinements of the crystal structure of levyne using twinned crystals
 Sample: 12
;
_database_code_amcsd 0014886
_chemical_compound_source 'Hvalfiordur, Iceland'
_chemical_formula_sum 'Ca1.64 K.14 Na2 (Al5.989 Si12.011) O50.1 H28.2'
_cell_length_a 13.372
_cell_length_b 13.372
_cell_length_c 22.640
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3505.902
_exptl_crystal_density_diffrn      2.055
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Ca1   0.00000   0.00000   0.14190   0.82000   0.02500
K4   0.00000   0.00000   0.44490   0.07000   0.06800
Na2   0.00000   0.00000   0.28450   0.30000   0.05100
Na3   0.00000   0.00000   0.39540   0.30000   0.09800
Na5   0.00000   0.00000   0.50000   0.80000   0.05400
AlT1   0.00010   0.23090   0.07030   0.33270   0.01380
SiT1   0.00010   0.23090   0.07030   0.66730   0.01380
AlT2   0.23870   0.00000   0.50000   0.33270   0.01220
SiT2   0.23870   0.00000   0.50000   0.66730   0.01220
O1   0.03650   0.34990   0.10790   1.00000   0.03060
O2   0.09040   0.18070   0.08470   1.00000   0.02660
O3   0.12850   0.25690  -0.09220   1.00000   0.02880
O4   0.26150   0.00000   0.00000   1.00000   0.02890
O5   0.22310   0.44630   0.17970   1.00000   0.02980
Wat1   0.15300   0.07650   0.21220   1.00000   0.07000
Wat2   0.12180   0.24360   0.29150   0.43000   0.11700
Wat3   0.16420   0.08210   0.34340   0.38000   0.13600
Wat4   0.20880   0.41750   0.29300   0.22000   0.07700
Wat5   0.14910   0.12240   0.21280   0.16000   0.04300
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
Ca1 0.02620 0.02620 0.02260 0.01310 0.00000 0.00000
AlT1 0.01220 0.01310 0.01330 0.00420 -0.00030 -0.00210
SiT1 0.01220 0.01310 0.01330 0.00420 -0.00030 -0.00210
AlT2 0.01060 0.01090 0.01530 0.00540 0.00100 0.00190
SiT2 0.01060 0.01090 0.01530 0.00540 0.00100 0.00190
O1 0.03980 0.02340 0.02490 0.01300 -0.00780 -0.00980
O2 0.02240 0.03220 0.02830 0.01610 -0.00090 -0.00180
O3 0.02400 0.04080 0.02710 0.02040 0.00410 0.00830
O4 0.03480 0.03520 0.01670 0.01760 -0.00020 -0.00050
O5 0.01930 0.03630 0.03930 0.01820 -0.00070 -0.00140