#*********************************************************************************
#
# Crystallographic Information File for NaZ-21
#
# Reference :
# Shepelev, Yu.F., Smolin, Yu.I., Butikova, I.K. and Tarasov, V.I.
# Dokl. Akad. Nauk SSSR, 272, 1133-1137, (1983)
#
#
# 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_NaZ-21
_chemical_name_systematic 'NaZ-21'
_cell_length_a 36.95
_cell_length_b 36.95
_cell_length_c 36.95
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'F d -3'
_symmetry_space_group_name_H-M 'F d -3'
_symmetry_space_group_name_Hall '-F 2uv 2vw 3'
_space_group.IT_number 203
_space_group.IT_coordinate_system_code '2'
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
NA1 Na 0.042 0.042 0.042 3 1
NA2 Na 0.2312 0.2132 0.2132 0.8 0.56
NA3 Na 0.2337 0.2337 0.2337 3 0.26
NA4 Na 0.6964 0.6964 0.6964 2.4 0.77
NA5 Na 0.4184 0.4184 0.4184 3 0.53
NA6 Na 0.4322 0.4322 0.4322 3.5 0.21
NA7 Na 0.4564 0.4564 0.4564 3.3 0.09
NA8 Na 0.177 0.0742 0.8278 2.1 0.46
NA9 Na 0.1895 0.0621 0.8156 2.4 0.24
NA10 Na 0.2006 0.0501 0.7983 2.6 0.23
NA11 Na 0.1805 0.0705 0.4323 2.7 1
NA12 Na 0.2723 0.1111 0.3621 2.8 0.6
NA13 Na 0.2541 0.111 0.3615 0.9 0.25
NA14 Na 0.2311 0.1084 0.364 3 0.15
SI1 Si 0.2481 0.0633 0.6252 0.4 1
SI2 Si 0.3103 0.1213 0.7456 0.5 1
SI3 Si 0.1717 0.0154 0.954 0.4 1
SI4 Si 0.223 0.0852 0.2858 0.7 1
AL1 Al 0.3141 -0.0016 0.8749 0.5 1
AL2 Al 0.2484 0.1221 0.8066 0.5 1
AL3 Al 0.2965 0.0164 0.0794 0.4 1
AL4 Al 0.285 0.0853 0.2273 0.7 1
O1 O 0.2151 0.0365 0.6145 1.6 1
O2 O 0.1613 0.0917 0.7357 1 1
O3 O 0.3857 0.0308 0.036 1.7 1
O4 O 0.258 0.0866 0.5894 1.3 1
O5 O 0.1135 0.0417 0.4616 1.4 1
O6 O 0.1982 0.0495 0.9583 1.6 1
O7 O 0.3626 0.0346 0.7917 1.4 1
O8 O 0.3261 0.0877 0.506 1.8 1
O9 O 0.2529 0.0944 0.8444 1.4 1
O10 O 0.3209 0.0698 0.2537 1.9 1
O11 O 0.216 0.1228 0.9583 1.7 1
O12 O 0.2652 0.0686 0.9861 1.8 1
O13 O 0.2454 0.1656 0.8233 1.9 1
O14 O 0.1723 0.0018 0.2433 2 1
O15 O 0.2803 0.0436 0.3807 1.7 1
O16 O 0.2839 0.0653 0.1852 1.8 1
H2O1 O2-(H2O) 0.2685 0.2685 0.2685 7.3 0.89
H2O2 O2-(H2O) 0.3699 0.0673 0.1659 2.6 0.17
H2O3 O2-(H2O) 0.3693 0.0758 0.1748 3.8 0.63
H2O4 O2-(H2O) 0.3679 0.0911 0.1828 2.3 0.2
H2O5 O2-(H2O) 0.0754 0.0754 0.0754 6.3 0.4
H2O6 O2-(H2O) 0.3268 0.125 0.625 5.5 0.86
H2O7 O2-(H2O) 0.1558 0.0849 0.888 5.4 0.6
H2O8 O2-(H2O) 0.1471 0.1066 0.8896 4.6 0.36
H2O9 O2-(H2O) 0.3553 0.0276 0.3912 6.3 0.38
H2O10 O2-(H2O) 0.3496 0.0471 0.3987 3.4 0.61
H2O11 O2-(H2O) 0.2063 0.0449 0.1043 3.8 0.29
# End of data for NaZ-21