#*********************************************************************************
#
# Crystallographic Information File for Farneseite
#
# Reference :
# Cámara, F., Bellatreccia, F., Della Ventura, G. and Mottana, A.
# Eur. J. Mineral., 17, 839-846, (2005)
#
#
# 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_Farneseite
_chemical_name_systematic 'Farneseite'
_cell_length_a 12.8784
_cell_length_b 12.8784
_cell_length_c 37.0078
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 63/m'
_symmetry_space_group_name_H-M 'P 63/m'
_symmetry_space_group_name_Hall '-P 6c'
_space_group.IT_number 176
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
Al1 Al 0.6692 0.0828 0.4659 1.263312 1
Al2 Al 0.2524 0.0028 0.3922 1.105398 1
Al3 Al 0.5897 -0.0868 0.3213 0.868527 1
Al4 Al 0.2523 -0.0051 0.25 0.78957 1
Si1 Si 0.3371 -0.0813 0.3213 0.868527 1
Si2 Si 0.7505 -0.0015 0.3934 1.026441 1
Si3 Si 0.4151 0.0832 0.4649 1.105398 1
Si4 Si 0.2524 0.2507 0.25 0.78957 1
S1 S 0 0 0.5 4.342635 1
S2 S 0.666667 0.333333 0.3794 2.684538 1
S3 S 0.666667 0.333333 0.25 2.684538 1
S4 S 0.333333 0.666667 0.4247 3.94785 0.134
K1 K 0.4372 0.219 0.318 2.763495 0.912
Na1A Na 0.5054 0.007 0.3927 1.105398 0.864
Na1B Na 0.524 0.047 0.3887 2.36871 0.292
Na1C Na 0.476 -0.058 0.4015 3.079323 0.102
Na2A Na 0.333333 0.666667 0.3036 8.211528 0.249
Na2B Na 0.333333 0.666667 0.3479 3.94785 0.465
Na3A Na 0.68 -0.1605 0.4649 3.000366 0.451
Na3B Na 0.597 -0.2044 0.4543 3.395151 0.235
Na3C Na 0.736 -0.1318 0.4718 2.842452 0.357
Na4A Na 0 0 0.3832 2.289753 0.105
Na4B Na 0 0 0.4144 4.500549 0.805
Na5A Na 0 0 0.25 0.868527 0.12
Na5B Na 0 0 0.2652 3.000366 0.468
Na6 Na 0.5143 0.0227 0.25 2.763495 1.05
Ca1 Ca 0.666667 0.333333 0.4798 2.447667 0.76
O1 O 0.324 -0.0134 0.3561 3.474108 1
O2 O 0.6847 0.0187 0.4268 3.868893 1
O3 O 0.7839 0.2269 0.4734 3.316194 1
O4 O 0.2387 -0.2218 0.3203 2.131839 1
O5 O 0.4662 -0.0702 0.3251 3.94785 1
O6 O 0.5417 0.0902 0.462 3.474108 1
O7 O 0.6657 -0.0189 0.3603 3.789936 1
O8 O 0.6668 0.0002 0.5025 3.316194 1
O9 O 0.3477 0.0316 0.4282 3.237237 1
O10 O 0.3341 -0.0132 0.2862 3.079323 1
O11 O 0.7841 -0.1015 0.25 1.894968 1
O12 O 0.2611 0.1324 0.25 3.789936 1
O13 O 0.2209 0.1157 0.3873 4.895334 1
O14 O 0.6708 -0.0068 0.2842 3.789936 1
O15 O 0.7573 -0.119 0.403 3.553065 1
O30 O 0.666667 0.333333 0.4196 4.974291 1
O31 O 0.6074 0.2101 0.3665 4.73742 1
O32 O 0.666667 0.333333 0.2835 3.94785 1
O33 O 0.5994 0.2156 0.2661 3.94785 1
O34 O 0.4018 -0.2033 0.4094 6.079689 1
O35 O 0.333333 0.666667 0.4604 3.94785 1
O36 O 0.8998 -0.0076 0.4803 3.94785 1
Cl1 Cl 0.3176 -0.3024 0.4306 3.94785 0.216
W1 O2-(H2O) 0.36 -0.407 0.25 3.94785 0.266
W2 O2-(H2O) 0 0 0.3238 3.94785 0.357
# End of data for Farneseite