data_global
_amcsd_formula_title 'Na.5(NH4)4Al4.4Si11.6O32*8H2O'
loop_
_publ_author_name
'Gualtieri A F'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 56 
_journal_year 2000
_journal_page_first 584
_journal_page_last 593
_publ_section_title
;
 Study of NH4+ in the zeolite phillipsite by combined synchrotron powder
 diffraction and IR spectroscopy
 Sample: 2
;
_database_code_amcsd 0009923
_chemical_compound_source 'Perrier, Puy du Dome, France'
_chemical_formula_sum 'N2.02 Na.2 (Al2.2 Si5.8) O20.74 H17.56'
_cell_length_a 10.0122
_cell_length_b 14.1943
_cell_length_c 8.7284
_cell_angle_alpha 90
_cell_angle_beta 125.024
_cell_angle_gamma 90
_cell_volume 1015.816
_exptl_crystal_density_diffrn      1.977
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
NI   0.87910   0.25000   0.18980   1.00000   0.07000
NII   0.45990   0.70520   0.50660   0.51000   0.06000
NaII*   0.67330   0.16520   0.51620   0.10000   0.09000
AlT1   0.73630   0.01930   0.29600   0.25000   0.03700
SiT1   0.73630   0.01930   0.29600   0.75000   0.03700
AlT2   0.42500   0.13900   0.01600   0.35000   0.04500
SiT2   0.42500   0.13900   0.01600   0.65000   0.04500
AlT3   0.04620   0.01060   0.27450   0.25000   0.04100
SiT3   0.04620   0.01060   0.27450   0.75000   0.04100
AlT4   0.12040   0.13450   0.03590   0.25000   0.03200
SiT4   0.12040   0.13450   0.03590   0.75000   0.03200
O1   0.08050   0.10340   0.18740   1.00000   0.05100
O2   0.64610   0.57820   0.17590   1.00000   0.02100
O3   0.59920   0.10320   0.20330   1.00000   0.06600
O4   0.01360   0.90950   0.17280   1.00000   0.04700
O5   0.88490   0.04440   0.27030   1.00000   0.06400
O6   0.31130   0.37740   0.10230   1.00000   0.03700
O7   0.79880   0.48660   0.51530   1.00000   0.03600
O8   0.56610   0.75000   0.04150   1.00000   0.09100
O9   0.08340   0.25000   0.02420   1.00000   0.03300
Wat1   0.70050   0.75000   0.41360   0.95000   0.02000
Wat2   0.89940   0.25000   0.54110   1.00000   0.06000
Wat3   0.31210   0.86910   0.12330   0.62000   0.08000
Wat4   0.70580   0.25000   0.79200   0.55000   0.08000
Wat5   0.50000   0.50000   0.50000   1.00000   0.07000
HI1   0.88100   0.25000   0.29470   1.00000   0.06000
HI2   0.98200   0.25000   0.22100   1.00000   0.06000
HI3   0.82600   0.30200   0.12200   1.00000   0.06000
HII1   0.37100   0.72700   0.50100   0.51000   0.06000
HII2   0.53100   0.67900   0.62000   0.51000   0.06000
HII3   0.51100   0.75230   0.48800   0.51000   0.06000
HII4   0.42600   0.65900   0.41600   0.51000   0.06000