#*********************************************************************************
#
# Crystallographic Information File for ZEO-5 calcined
#
# Reference :
# Gao, Z.R., Yu, H., Chen, F.-J., Mayoral, A., Niu, Z., Niu, Z., Li, X., Deng, H., Márquez-Álvarez, C., He, H., Xu, S., Zhou, Y., Xu, J., Xu, H., Fan, W., Balestra, S.R.G., Ma, C., Hao, J., Li, J., Wu, P., Yu, J. and Camblor, M.A.
# Nature, 628, 99-103, (2024)
#
#
# 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_ZEO-5_calcined
_chemical_name_systematic 'ZEO-5 calcined'
_cell_length_a 25.278
_cell_length_b 24.665
_cell_length_c 14.4173
_cell_angle_alpha 90
_cell_angle_beta 105.24
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/c 1'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_space_group.IT_number 15
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 0.558425 0.380349 0.105685 0.9117408 1
Si2 Si 0.359066 0.470888 0.428269 0.7642074 1
Si3 Si 0.376593 0.436584 0.800773 0.7618656 1
Si4 Si 0.5 0.300422 0.75 1.159191 1
Si5 Si 0.491609 0.391588 0.89455 1.1381148 1
Si6 Si 0.426598 0.482146 0.638975 1.018683 1
Si7 Si 0.5 0.573671 0.75 1.159191 1
Si8 Si 0.110304 0.240159 0.364599 1.6767288 1
Si9 Si 0.307351 0.352451 0.672773 1.565103 1
Si10 Si 0.133759 0.205503 0.573004 1.67829 1
Si11 Si 0.21632 0.113014 0.536076 1.7657172 1
Si12 Si 0.22361 0.273513 0.626151 3.8608476 1
Si13 Si 0.200494 0.312178 0.408098 3.8858268 1
O01 O 0.052128 0.237643 0.287115 2.5884696 1
O02 O 0.58972 0.32287 0.119909 1.810992 1
O03 O 0.333522 0.389438 0.764395 2.0428302 1
O04 O 0.199575 0.056299 0.573673 1.8952968 1
O05 O 0.491933 0.336348 0.836554 2.6048622 1
O06 O 0.397771 0.429085 0.393145 1.7188812 1
O07 O 0.431764 0.413877 0.875053 2.5962756 1
O08 O 0.532232 0.612188 0.694127 1.9991166 1
O09 O 0.346196 0.478704 0.855383 1.6447242 1
O10 O 0.458166 0.536758 0.673687 2.603301 1
O11 O 0.468632 0.433708 0.635802 3.118497 1
O12 O 0.390457 0.465386 0.710154 2.318382 1
O13 O 0.388892 0.491214 0.534036 1.8242622 1
O14 O 0.512313 0.379902 0.006365 1.8242622 1
O15 O 0.177062 0.160367 0.556798 2.8046958 1
O16 O 0.351638 0.308048 0.661562 2.3019894 1
O17 O 0.220932 0.371957 0.408976 2.049075 1
O18 O 0.166023 0.252245 0.64098 2.049075 1
O19 O 0.136306 0.300158 0.359789 2.3917584 1
O20 O 0.253663 0.324472 0.690297 2.7687882 1
O21 O 0.292417 0.388908 0.578095 2.736003 1
O22 O 0.102676 0.22917 0.468772 2.587689 1
O23 O 0.213698 0.291149 0.516312 6.6920838 1
O24 O 0.23332 0.276375 0.344311 4.226949 1
# End of data for ZEO-5_calcined