#*********************************************************************************
#
# Crystallographic Information File for Marinellite
#
# Reference :
# Bonaccorsi, E. and Orlandi, P.
# Eur. J. Mineral., 15, 1019-1027, (2003)
#
#
# 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_Marinellite
_chemical_name_systematic 'Marinellite'
_cell_length_a 12.88
_cell_length_b 12.88
_cell_length_c 31.761
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 3 1 c'
_symmetry_space_group_name_H-M 'P 3 1 c'
_symmetry_space_group_name_Hall 'P 3 -2c'
_space_group.IT_number 159
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 0.251 0.9984 0.0144 0.7 1
Si2 Si 0.9171 0.5809 0.0975 0.7 1
Si3 Si 0.9164 0.5839 0.4302 0.7 1
Si4 Si 0.5863 0.6698 0.18 0.7 1
Si5 Si 0.585 0.6716 0.3468 0.7 1
Si6 Si 0.584 0.917 0.7634 0.6 1
Al1 Al 0.748 0.0022 0.0132 0.9 1
Al2 Al 0.411 0.0814 0.0972 0.9 1
Al3 Al 0.417 0.0815 0.4297 0.9 1
Al4 Al 0.5811 0.9241 0.1804 0.6 1
Al5 Al 0.5798 0.923 0.3455 0.6 1
Al6 Al 0.4137 0.0769 0.2637 0.6 1
O11 O 0.427 0.872 0.3468 1.5 1
O12 O 0.405 0.205 0.2714 1.6 1
O21 O 0.97 0.639 0.0487 0.7 1
O22 O 0.995 0.688 0.4655 0.7 1
O31 O 0.217 0.103 0.0123 2.1 1
O32 O 0.248 0.12 0.525 2.1 1
O41 O 0.418 0.212 0.1062 2.6 1
O42 O 0.453 0.229 0.43 2.6 1
O51 O 0.33 0.356 0.1321 1 1
O52 O 0.364 0.343 0.3836 1 1
O61 O 0.65 0.664 0.135 2.8 1
O62 O 0.659 0.662 0.386 2.8 1
O71 O 0.887 0.441 0.0942 2.6 1
O72 O 0.918 0.463 0.4407 2.6 1
O81 O 0.665 0.661 0.2171 1.9 1
O82 O 0.647 0.681 0.2999 1.9 1
O91 O 0.36 0.33 0.2166 1 1
O92 O 0.338 0.354 0.2994 1 1
O10 O 0.595 0.798 0.3548 1.3 1
O10 O 0.595 0.798 0.3548 1.3 1
O11 O 0.427 0.872 0.3468 1.5 1
O11 O 0.427 0.872 0.3468 1.5 1
O12 O 0.405 0.205 0.2714 1.6 1
O13 O 0.881 0.445 0.2652 1.7 1
S1 S 0 0 0.1163 5.9 1
OA1 O 0 0 0.0703 9.5 1
OB1 O 0.072 0.121 0.131 3.2 1
S2 S 0 0 0.2559 3 1
OA2 O 0 0 0.2099 9.5 0.5
OB2 O 0.068 0.115 0.277 2.8 0.5
OA2 O 0 0 0.2099 9.5 0.5
OB2 O 0.068 0.115 0.277 2.8 0.5
S3 S 0 0 0.4092 2.8 1
OA3 O 0 0 0.45 9.5 1
OB3 O 0.062 0.121 0.3886 6 1
S4 S 0.33333 0.66667 0.467 8.7 1
OA4 O 0.33333 0.66667 0.513 9.5 0.5
OB4 O 0.463 0.727 0.444 3.2 0.5
OA4 O 0.33333 0.66667 0.513 9.5 0.5
OB4 O 0.463 0.727 0.444 3.2 0.5
Cl5 Cl 0.372 0.667 0.0589 3.4 1
K1 K 0.232 0.1159 0.1808 3.9 1
K2 K 0.2302 0.1164 0.3391 2.8 0.91
Na1 Na 0.201 0.401 0.0856 3.1 0.5
Na1b Ca 0.16 0.316 0.1001 3.1 0.5
Na2 Na 0.6882 0.844 0.2608 2.4 1
Na3 Na 0.153 0.839 0.4259 1.6 1
Ca1 Ca 0 0 0.5256 1.3 0.54
Ca1b Ca 0 0 0.507 1.3 0.27
Na4 Na 0.33333 0.66667 0.159 1.7 0.5
Na4b Na 0.33333 0.66667 0.186 1.7 0.5
Na5 Na 0.33333 0.66667 0.3783 1 0.5
Na5b Na 0.33333 0.66667 0.3553 1 0.5
Na6 Na 0.66667 0.33333 0.102 3.9 0.5
Na6b Na 0.66667 0.33333 0.065 3.9 0.5
Na7 Na 0.66667 0.33333 0.283 2.4 0.5
Na7b Na 0.66667 0.33333 0.247 2.4 0.5
Na8 Na 0.66667 0.33333 0.469 1.7 0.5
Na8b Na 0.66667 0.33333 0.452 1.7 0.5
Na9 Ca 0.019 0.511 0.0161 2.4 0.37
Na9b Ca 0.919 0.457 0.0036 2.4 0.32
W1 O 0.31 0.609 0.265 7.1 0.33
W2 O 0.66667 0.33333 0.357 4.7 1
W3 O 0.712 0.34 0.185 5.5 0.33
# End of data for Marinellite