data_global
_chemical_name_mineral 'Amicite'
loop_
_publ_author_name
'Alberti A'
'Vezzalini G'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 2866
_journal_page_last 2869
_publ_section_title
;
 The crystal structure of amicite, a zeolite
;
_database_code_amcsd 0009695
_chemical_compound_source 'basaltic rock at Howenegg in Hegau, southern West Germany'
_chemical_formula_sum 'K Na Al2 Si2 O10.765 H5.53'
_cell_length_a 10.226
_cell_length_b 10.422
_cell_length_c 9.884
_cell_angle_alpha 90
_cell_angle_beta 88.19
_cell_angle_gamma 90
_cell_volume 1052.865
_exptl_crystal_density_diffrn      2.208
_symmetry_space_group_name_H-M 'I 1 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-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
K   0.30710  -0.00400   0.96920   1.00000   0.02647
Na   0.43120   0.25590   0.67160   1.00000   0.03204
Al1   0.15460   0.24910   0.15460   1.00000   0.00545
Al2   0.15820   0.00270   0.65120   1.00000   0.00557
Si1   0.15230  -0.01330   0.32610   1.00000   0.00583
Si2   0.15340   0.26150   0.82630   1.00000   0.00507
O1   0.00100  -0.04710   0.30370   1.00000   0.01532
O2  -0.00300   0.29560   0.20470   1.00000   0.01444
O3   0.20310   0.14010   0.73540   1.00000   0.01216
O4   0.18100   0.03040   0.47850   1.00000   0.01494
O5   0.17120   0.22640   0.98330   1.00000   0.01431
O6   0.19890   0.10180   0.22630   1.00000   0.01267
O7   0.26200   0.36100   0.21840   1.00000   0.01381
O8   0.75580   0.38120   0.21770   1.00000   0.00925
Wat1   0.34350   0.25070   0.45390   1.00000   0.03356
Wat2   0.47790   0.06820   0.21790   1.00000   0.03496
Wat3   0.00000   0.31910   0.50000   1.00000   0.03420
Wat4   0.50000   0.47290   0.50000   0.53000   0.02976
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
K 0.03175 0.02531 0.02274 0.00917 -0.00460 -0.00522
Na 0.02646 0.04182 0.02769 0.01457 -0.00307 -0.00887
Al1 0.00476 0.00605 0.00544 0.00000 0.00000 0.00104
Al2 0.00635 0.00495 0.00544 0.00108 0.00000 -0.00104
Si1 0.00635 0.00550 0.00544 0.00216 0.00051 0.00052
Si2 0.00529 0.00495 0.00494 0.00054 0.00000 0.00052
O1 0.00741 0.01816 0.02027 -0.00108 -0.00051 -0.00313
O2 0.00847 0.02036 0.01483 0.00216 0.00051 -0.00313
O3 0.01482 0.01101 0.01088 0.00162 -0.00153 -0.00313
O4 0.02170 0.01486 0.00841 -0.00270 -0.00051 0.00209
O5 0.01905 0.01541 0.00791 -0.00054 0.00000 0.00261
O6 0.01799 0.00605 0.01384 0.00270 0.00102 0.00313
O7 0.01641 0.00935 0.01533 -0.00378 -0.00153 0.00104
O8 0.01058 0.00825 0.00890 0.00432 -0.00205 -0.00104
Wat1 0.03387 0.04072 0.02670 -0.01187 -0.01023 0.00522
Wat2 0.02329 0.02971 0.05093 -0.00108 0.00870 0.00209
Wat3 0.03652 0.03192 0.03461 0.00000 -0.00767 0.00000
Wat4 0.04446 0.02256 0.02274 0.00000 -0.00921 0.00000