#*********************************************************************************
#
# Crystallographic Information File for VPI-5
#
# Reference :
# McCusker, L.B., Baerlocher, Ch., Jahn, E. and Bülow, M.
# Zeolites, 11, 308-313, (1991)
#
#
# 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-5
_chemical_name_systematic 'VPI-5'

_cell_length_a 18.9752
_cell_length_b 18.9752
_cell_length_c 8.1044
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 63'
_symmetry_space_group_name_H-M 'P 63'
_symmetry_space_group_name_Hall 'P 6c'
_space_group.IT_number 173

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
Al1 Al 0.385 -0.001 0.239 0.24 1
Al2 Al 0.474 -0.173 0.204 0.24 1
Al3 Al 0.654 0.169 0.198 0.24 1
P1 P 0.55 -0.001 0.358 0.79 1
P2 P 0.311 -0.185 0.32 0.79 1
P3 P 0.507 0.185 0.309 0.79 1
O1 O 0.47 0.001 0.339 1.5 1
O2 O 0.431 0.009 0.037 1.5 1
O3 O 0.322 -0.112 0.223 1.5 1
O4 O 0.43 0.111 0.255 1.5 1
O5 O 0.54 -0.074 0.264 1.5 1
O6 O 0.619 0.072 0.278 1.5 1
O7 O 0.512 -0.231 0.28 1.5 1
O8 O 0.378 -0.206 0.28 1.5 1
O9 O 0.474 -0.175 -0.015 1.5 1
O10 O 0.311 -0.168 0.5 1.5 1
O11 O 0.575 0.195 0.198 1.5 1
O12 O 0.739 0.236 0.315 1.5 1
H2O1 O2-(H2O) 0.339 0.005 0.465 2.13 1
H2O2 O2-(H2O) 0.29 0.002 0.16 2.13 1
H2O3 O2-(H2O) 0.314 0.13 -0.028 7.11 1
H2O4 O2-(H2O) 0.248 0.055 -0.288 10.03 1
H2O5 O2-(H2O) 0.193 0.045 -0.566 10.03 1
H2O6 O2-(H2O) 0.319 0.189 -0.539 7.11 1
H2O7 O2-(H2O) 0.1 0.053 0.165 10.03 1
# End of data for VPI-5