#*********************************************************************************
#
# Crystallographic Information File for ITQ-38, calcined
#
# Reference :
# Corma, A. and Zou, X.D.
# private communication, , , (2013)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_ITQ-38_calcined
_chemical_name_systematic 'ITQ-38, calcined'
_cell_length_a 12.896
_cell_length_b 12.777
_cell_length_c 21.195
_cell_angle_alpha 90
_cell_angle_beta 96.25
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 2/m 1'
_symmetry_space_group_name_H-M 'P 1 2/m 1'
_symmetry_space_group_name_Hall '-P 2y'
_space_group.IT_number 10
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
T1a Si 0.62729 0.12554 0.2269 1 0.311
T1b Ge 0.62729 0.12554 0.2269 1 0.689
T2a Si 0.78024 0.12439 0.35939 1 0.594
T2b Ge 0.78024 0.12439 0.35939 1 0.406
T3a Si 0.97675 0.12857 0.28339 1 0.488
T3b Ge 0.97675 0.12857 0.28339 1 0.512
T4a Si 0.83193 0.12818 0.15553 1 0.509
T4b Ge 0.83193 0.12818 0.15553 1 0.491
T5a Si 0.11426 0.37309 0.07016 1 0.9
T5b Ge 0.11426 0.37309 0.07016 1 0.1
T6a Si 0.26349 0.37812 0.19295 1 0.954
T6b Ge 0.26349 0.37812 0.19295 1 0.046
T7a Si 0.13633 0.30456 0.2989 1 1
T8a Si 0.27616 0.37603 0.42376 1 1
T9a Si 0.49754 0.37522 0.37974 1 1
T10a Si 0.72773 0.31452 0.43515 1 0.917
T10b Ge 0.72773 0.31452 0.43515 1 0.082
T11 Si 0.81129 0.5 0.36087 1 1
T12 Si 0.98481 0.5 0.28218 1 1
T13 Si 0.82852 0.5 0.15485 1 1
T14 Si 0.65109 0.5 0.2317 1 1
T15a Si 0.48994 0.31397 0.23705 1 0.83
T15b Ge 0.48994 0.31397 0.23705 1 0.17
T16a Si 0.8883 0.3078 0.07268 1 0.94
T16b Ge 0.8883 0.3078 0.07268 1 0.06
O1 O 0.0139 0.30918 0.0876 2 1
O2 O 0.09643 0.5 0.06921 2 1
O3 O 0.21171 0.34548 0.12235 2 1
O4 O 0.24158 0.5 0.20442 2 1
O5 O 0.38573 0.35493 0.19579 2 1
O6 O 0.21472 0.30624 0.24503 2 1
O7 O 0.08658 0.18911 0.30046 2 1
O8 O 0.05091 0.39377 0.28337 2 1
O9 O 0.20026 0.32012 0.368 2 1
O10 O 0.24168 0.33358 0.48977 2 1
O11 O 0.25143 0.5 0.42138 2 1
O12 O 0.39791 0.35507 0.41773 2 1
O13 O 0.47787 0.3145 0.31224 2 1
O14 O 0.50513 0.5 0.36707 2 1
O15 O 0.60511 0.33424 0.41716 2 1
O16 O 0.7586 0.19477 0.42083 2 1
O17 O 0.79889 0.39254 0.39875 2 1
O18 O 0.73361 0.5 0.29548 2 1
O19 O 0.92936 0.5 0.34537 2 1
O20 O 0.90673 0.5 0.21847 2 1
O21 O 0.84074 0.39423 0.11579 2 1
O22 O 0.70962 0.5 0.1688 2 1
O23 O 0.58312 0.39447 0.22701 1 1
O24 O 0.52207 0.19872 0.21312 2 1
O25 O 0.58679 0 0.22621 2 1
O26 O 0.70945 0.14157 0.172 2 1
O27 O 0.69269 0.15045 0.29823 2 1
O28 O 0.76391 0 0.37961 2 1
O29 O 0.89896 0.14626 0.34033 2 1
O30 O 0.91531 0.17206 0.21485 2 1
O31 O 0.85665 0 0.14433 2 1
O32 O 0.84533 0.19339 0.09015 2 1
O33 O 0.85615 0.33444 -0.00142 2 1
O34 O 0 0 0.27514 2 1
C2 C 0.67612 -0.04524 0.68102 20 1.297
C3 C 0.74274 0.04003 0.83654 20 1.511
C4 C 0.08215 -0.09036 0.43185 20 1.635
C5 C 0.40962 0.3195 0.96708 5.8 0.907
C6 C 0.55798 0.50003 0.95261 10 0.19
C7 C 0.38611 0.07868 0.01121 6.55 0.734
# End of data for ITQ-38_calcined