data_global
_chemical_name_mineral 'Gaultite'
loop_
_publ_author_name
'Ercit T S'
'Van Velthuizen J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 855
_journal_page_last 863
_publ_section_title
;
 Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec,
 and its crystal structure
;
_database_code_amcsd 0005410
_chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum 'Zn2 Si7 Na4 O24 H8'
_cell_length_a 10.231
_cell_length_b 39.91
_cell_length_c 10.339
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4221.612
_exptl_crystal_density_diffrn      2.553
_symmetry_space_group_name_H-M 'F 2 d d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '+x,-y,-z'
  '+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
Zn   0.25000   0.05464   0.33774   1.00000 ?
Si1   0.28100   0.16421   0.09090   1.00000 ?
Si2   0.24610   0.09015   0.05540   1.00000 ?
Si3   0.53550   0.07200   0.04390   1.00000 ?
Si4   0.60580   0.00000   0.00000   1.00000 ?
Na1   0.04450   0.12519   0.30030   1.00000 ?
Na2*   0.32750   0.23960   0.05610   0.50000 ?
Na2*   0.36220   0.25340   0.08710   0.50000 ?
O1   0.50820   0.03154   0.03550   1.00000 ?
O2   0.39930   0.09110   0.01160   1.00000 ?
O3   0.21050   0.12776   0.11130   1.00000 ?
O4   0.57720   0.08149   0.19140   1.00000 ?
O5   0.41740   0.16520   0.17080   1.00000 ?
O6   0.14660   0.08424   0.44800   1.00000 ?
O7   0.21410   0.06228   0.15680   1.00000 ?
O8   0.19140   0.00868   0.37400   1.00000 ?
O9   0.18610   0.19363   0.13280   1.00000 ?
OW1   0.13470   0.16020   0.46210   1.00000 ?
OW2   0.16930   0.27680   0.12960   1.00000 ?
OW3   0.48310   0.25170   0.22100   1.00000   0.03320
H1   0.14600   0.18000   0.44500   1.00000   0.01000
H2   0.07000   0.16000   0.51100   1.00000   0.01000
H3   0.08500   0.26900   0.14400   1.00000   0.01000
H4   0.18000   0.28700   0.20400   1.00000   0.01000
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
Zn 0.01160 0.01050 0.01060 -0.00060 0.00220 0.00130
Si1 0.00910 0.01060 0.00840 0.00150 -0.00190 -0.00030
Si2 0.00990 0.00970 0.00960 0.00100 -0.00220 0.00030
Si3 0.00790 0.00980 0.00820 0.00160 -0.00060 -0.00040
Si4 0.00950 0.00820 0.00930 0.00000 0.00000 0.00130
Na1 0.02840 0.02200 0.02730 0.00060 -0.01180 0.00470
O1 0.01390 0.00890 0.02060 0.00140 0.00370 0.00030
O2 0.00690 0.01880 0.01500 0.00290 -0.00190 -0.00090
O3 0.01470 0.01290 0.01820 -0.00290 0.00390 -0.00270
O4 0.01560 0.02930 0.00800 -0.00130 -0.00050 -0.00170
O5 0.01150 0.01980 0.01060 -0.00010 -0.00400 -0.00040
O6 0.01470 0.01070 0.01110 0.00270 0.00470 -0.00010
O7 0.02900 0.01540 0.01340 -0.00440 -0.00430 0.00340
O8 0.01600 0.01170 0.01390 0.00010 0.00260 0.00240
O9 0.01520 0.01470 0.02380 0.00320 -0.00100 -0.00410
OW1 0.02870 0.01620 0.02730 0.00280 0.00140 0.00230
OW2 0.01900 0.02040 0.02480 -0.00400 0.00360 -0.00140