#*********************************************************************************
#
# Crystallographic Information File for IM-12
#
# Reference :
# Paillaud, J.-L., Harbuzaru, B., Patarin, J. and Bats, N.
# Science, 304, 990-992, (2004)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/
#
#**********************************************************************************
data_IM-12
_chemical_name_systematic 'IM-12'

_cell_length_a 29.8004
_cell_length_b 13.9926
_cell_length_c 12.3926
_cell_angle_alpha 90
_cell_angle_beta 105.185
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12

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
Ge1 Ge 0.4474 0.6144 0.8253 3 0.77
Ge2 Ge 0.4408 0.6125 1.0867 2.2 0.753
Si1 Si 0.2676 1 0.7912 3.9 1
Si2 Si 0.2291 0.5 0.8244 3.9 1
Si3 Si 0.3052 0.5 0.6799 3.9 1
Si4 Si 0.2284 0.5 0.4591 3.9 1
Si5 Si 0.2951 0.7974 1.2393 3.9 1
Si6 Si 0.2972 0.7965 0.4923 3.9 1
Si7 Si 0.3044 0.7988 0.8584 3.9 1
Si8 Si 0.3468 0.6978 1.0903 3.9 1
Si9 Si 0.3561 0.6997 0.6986 3.9 1
Si10 Si 0.2955 0.5 1.0606 3.9 1
O1 O 0.3011 0.9045 1.2108 6 1
O2 O 0.3369 0.5951 0.709 6 1
O3 O 0.2385 0.5 0.3398 6 1
O4 O 0.2482 0.5 0.96 6 1
O5 O 0.4285 0.6159 0.9437 6 1
O6 O 0.3307 0.7319 1.1994 6 1
O7 O 0.329 0.7749 0.9903 6 1
O8 O 0.4373 0.5 1.139 6 1
O9 O 0.5036 0.649 0.834 6 0.5
O9' O 0.5032 0.667 0.865 6 0.5
O10 O 0.4466 0.5 0.771 6 1
O11 O 0.4027 0.6876 1.1289 6 1
O12 O 0.2821 0.5 1.1811 6 1
O13 O 0.4127 0.6952 0.7273 6 1
O14 O 0.297 0.9096 0.8436 6 1
O15 O 0.25 0.75 0.5 6 1
O16 O 0.3254 0.5943 1.0516 6 1
O17 O 0.3368 0.7686 0.7804 6 1
O18 O 0.2694 0.5 0.7591 6 1
O19 O 0.3001 0.906 0.5276 6 1
O20 O 0.2786 0.5 0.5463 6 1
O21 O 0.3055 0.784 0.3718 6 1
O22 O 0.3361 0.7339 0.5701 6 1
O23 O 0.2558 0.7398 0.8219 6 1
# End of data for IM-12