#*********************************************************************************
#
# Crystallographic Information File for VPI-7
#
# Reference :
# Röhrig, C., Gies, H. and Marler, B.
# Zeolites, 14, 498-503, (1994)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#**********************************************************************************
data_VPI-7
_chemical_name_systematic 'VPI-7'

_cell_length_a 39.88
_cell_length_b 10.326
_cell_length_c 10.219
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'F d d 2'
_symmetry_space_group_name_H-M 'F d d 2'
_symmetry_space_group_name_Hall 'F 2 -2d'
_space_group.IT_number 43

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
NA1 Na 0.1269 0.201 0.059 1.58 0.89
NA2 Na 0.2549 0.069 0.762 1.58 0.89
SI1 Si 0 0 0 1.86 1
SI2 Si 0.0718 0.4537 0.565 1.86 1
SI3 Si 0.0868 0.1622 0.571 1.86 1
SI4 Si 0.0904 0.4481 0.855 1.86 1
ZN1 Zn 0.05488 0.164 0.856 1.86 1
O1 O 0.0087 0.1255 0.91 0.87 1
O2 O 0.0319 0.464 0.589 0.87 1
O3 O 0.085 0.054 0.955 0.87 1
O4 O 0.0809 0.3082 0.519 0.87 1
O5 O 0.0572 0.12 0.67 0.87 1
O6 O 0.061 0.3481 0.887 0.87 1
O7 O 0.0902 0.488 0.702 0.87 1
O8 O 0.1228 0.142 0.641 0.87 1
O9 O 0.0836 0.081 0.435 0.87 1
H2O1 O2-(H2O) 0.0889 0.299 0.213 5.53 1.23
H2O2 O2-(H2O) 0.25 0.75 0.124 5.53 1.3
H2O3 O2-(H2O) 0.2237 0.627 0.436 5.53 1.23
# End of data for VPI-7