#*********************************************************************************
#
# Crystallographic Information File for ITQ-49, calcined
#
# Reference :
# Hernandez-Rodriguez, M., Jorda, J. L., Rey, F. and Corma, A.
# J. Am. Chem. Soc., 134, 13232-13235, (2012)
#
#
# 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-49_calcined
_chemical_name_systematic 'ITQ-49, calcined'
_cell_length_a 19.6002
_cell_length_b 18.3262
_cell_length_c 16.5329
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I m m m'
_symmetry_space_group_name_H-M 'I m m m'
_symmetry_space_group_name_Hall '-I 2 2'
_space_group.IT_number 71
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
Si1 Si 0.23459 0.1205 0.1779 6.4 0.797
Ge1 Ge 0.23459 0.1205 0.1779 6.4 0.203
Si2 Si 0.16434 0.38 0.1754 6.4 0.759
Ge2 Ge 0.16434 0.38 0.1754 6.4 0.241
Si3 Si 0 0.1411 0.0904 6.4 0.862
Ge3 Ge 0 0.1411 0.0904 6.4 0.138
Si4 Si 0.1374 0.2322 0.0951 6.4 0.924
Ge4 Ge 0.1374 0.2322 0.0951 6.4 0.076
Si5 Si 0.081 0.5 0.2561 6.4 0.839
Ge5 Ge 0.081 0.5 0.2561 6.4 0.161
Si6 Si 0.2451 0 0.406 6.4 0.66
Ge6 Ge 0.2451 0 0.406 6.4 0.34
Si7 Si 0.1475 0 0.2605 6.4 0.77
Ge7 Ge 0.1475 0 0.2605 6.4 0.23
Si8 Si 0.1838 0.5 0.4076 6.4 0.877
Ge8 Ge 0.1838 0.5 0.4076 6.4 0.123
Si9 Si 0 0 0.2063 6.4 0.928
Ge9 Ge 0 0 0.2063 6.4 0.072
O1 O 0.2893 0.145 0.2476 5.9 1
O2 O 0.1712 0.0731 0.2131 5.9 1
O3 O 0.2016 0.194 0.1379 5.9 1
O4 O 0.2683 0.0714 0.1063 5.9 1
O5 O 0.0984 0.4288 0.2018 5.9 1
O6 O 0.2111 0.4257 0.1115 5.9 1
O7 O 0.1268 0.3141 0.1269 5.9 1
O8 O 0 0.1078 0 5.9 1
O9 O 0.0678 0.1881 0.1091 5.9 1
O10 O 0 0.0706 0.1493 5.9 1
O11 O 0.1524 0.2347 0 5.9 1
O12 O 0.1212 0.5 0.3425 5.9 1
O13 O 0 0.5 0.2735 5.9 1
O14 O 0.1741 0 0.3536 5.9 1
O15 O 0.2191 0 0.5 5.9 1
O16 O 0.0651 0 0.2647 5.9 1
O17 O 0.1555 0.5 0.5 5.9 1
# End of data for ITQ-49_calcined