#*********************************************************************************
#
# Crystallographic Information File for NU-87
#
# Reference :
# Shannon, M.D., Casci, J.L., Cox, P.A. and Andrews, S.J.
# Nature, 353, 417-420, (1991)
#
#
# 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_NU-87
_chemical_name_systematic 'NU-87'
_cell_length_a 14.324
_cell_length_b 22.376
_cell_length_c 25.092
_cell_angle_alpha 90
_cell_angle_beta 151.515
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 21/c 1'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_space_group.IT_number 14
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 0.64 0.1717 0.324 0 1
Si2 Si 0.473 0.197 0.738 0 1
Si3 Si 0.028 0.2218 0.5 0 1
Si4 Si 0.228 0.001 0.178 0 1
Si5 Si 0.226 0.0039 0.048 0 1
Si6 Si 0.412 0.128 0.108 0 1
Si7 Si 0.421 0.12 0.308 0 1
Si8 Si 0.666 0.1299 0.737 0 1
Si9 Si 0.654 0.1237 0.924 0 1
Si10 Si 0.606 0.1816 0.496 0 1
Si11 Si 0.604 0.1838 0.109 0 1
Si12 Si 0.456 0.1822 0.536 0 1
Si13 Si 0.451 0.1837 0.917 0 1
Si14 Si 0.035 0.1941 0.1 0 1
Si15 Si 0.038 0.2969 0.406 0 1
Si16 Si 0.033 0.2154 0.307 0 1
Si17 Si 0.031 0.2175 0.697 0 1
O1 O 0.242 0.009 0.121 0 1
O2 O 0.55 0.2367 0.284 0 1
O3 O 0.87 0.1734 0.434 0 1
O4 O 0.242 0.194 0.614 0 1
O5 O 0.588 0.133 0.349 0 1
O6 O 0.553 0.141 0.228 0 1
O7 O 0.579 0.168 0.741 0 1
O8 O 0.533 0.159 0.818 0 1
O9 O 0.002 0.2773 0.526 0 1
O10 O -0.006 0.2429 0.423 0 1
O11 O 0.001 0.003 0.083 0 1
O12 O 0.35 0.0523 0.269 0 1
O13 O 0.318 0.0626 0.066 0 1
O14 O 0.675 0.0611 0.757 0 1
O15 O 0.651 0.053 0.911 0 1
O16 O 0.24 0.163 0.206 0 1
O17 O 0.244 0.1761 0.023 0 1
O18 O 0.88 0.152 0.833 0 1
O19 O 0.873 0.146 1.031 0 1
O20 O 0.508 0.133 0.409 0 1
O21 O 0.535 0.134 0.116 0 1
O22 O 0.533 0.137 0.619 0 1
O23 O 0.563 0.138 0.935 0 1
O24 O 0.521 0.2479 0.44 0 1
O25 O 0.526 0.2499 0.587 0 1
O26 O 0.555 0.163 0.531 0 1
O27 O 0.509 0.167 0.006 0 1
O28 O 0.838 0.178 0.605 0 1
O29 O 0.837 0.18 0.221 0 1
O30 O 0.223 0.176 0.414 0 1
O31 O 0.219 0.176 0.793 0 1
O32 O 0.026 0.2544 0.64 0 1
O33 O 0.037 0.2734 0.345 0 1
O34 O 0.036 0.236 0.248 0 1
H2O1 O2-(H2O) 0.233 0.037 0.568 0 1
H2O2 O2-(H2O) 0.39 0.016 0.917 0 1
H2O3 O2-(H2O) 0.08 0.044 0.268 0 1
H2O4 O2-(H2O) -0.03 0.037 0.313 0 1
H2O5 O2-(H2O) 0.01 0.065 0.61 0 1
# End of data for NU-87