#*********************************************************************************
#
# Crystallographic Information File for Yugawaralite
#
# Reference :
# Kvick, Å., Artioli, G. and Smith, J.V.
# Z. Kristallogr., 174, 265-281, (1986)
#
#
# 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_Yugawaralite
_chemical_name_systematic 'Yugawaralite'

_cell_length_a 6.7
_cell_length_b 13.972
_cell_length_c 10.039
_cell_angle_alpha 90
_cell_angle_beta 111.07
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 c 1'
_symmetry_space_group_name_H-M 'P 1 c 1'
_symmetry_space_group_name_Hall 'P -2yc'
_space_group.IT_number 7

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
CA1 Ca 0.05134 0.21654 0.42364 0.44 1
SI1 Si 0.34121 0.14798 0.98083 0.25 1
SI2 Si 0.71051 0.0365 0.19124 0.26 1
SI3 Si 0.40911 0.1245 0.69431 0.22 1
SI4 Si 0.02736 0.47598 0.43748 0.22 1
SI5 Si 0.36039 0.37327 0.96046 0.24 1
SI6 Si 0.74211 0.49757 0.62097 0.24 1
AL1 Al 0 0.0071 0 0.21 1
AL2 Al 0.39614 0.35598 0.65361 0.21 1
O1 O 0.10689 0.1038 0.94844 0.54 1
O2 O 0.85591 0.04834 0.09817 0.58 1
O3 O 0.19153 0.07642 0.59056 0.48 1
O4 O 0.50365 0.10778 0.13425 0.41 1
O5 O 0.43489 0.11736 0.86004 0.65 1
O6 O 0.61915 0.07317 0.67971 0.46 1
O7 O 0.84451 0.06416 0.35574 0.44 1
O8 O 0.33904 0.26252 -0.00394 0.64 1
O9 O 0.39913 0.23277 0.63939 0.47 1
O10 O 0.1638 0.42664 0.98834 0.47 1
O11 O 0.83032 0.48293 0.49303 0.49 1
O12 O 0.17154 0.38236 0.49904 0.42 1
O13 O 0.57911 0.41154 0.08345 0.48 1
O14 O 0.36053 0.3932 0.80583 0.54 1
O15 O 0.62998 0.40026 0.64 0.48 1
O16 O 0.93634 0.47014 0.26478 0.4 1
O100 O 0.98759 0.24929 0.17041 0.97 0.774
O101 O 0.04165 0.27602 0.20621 3.79 0.182
H11 H 0.95821 0.19582 0.10667 3 0.825
H12 H 0.03505 0.30007 0.12817 3.55 0.883
H13 H 0.05913 0.34986 0.21315 4.47 0.157
O20 O 0.9031 0.23331 0.61844 0.89 1
H21 H 0.87936 0.18305 0.67456 3.25 1
H22 H 0.81676 0.28638 0.62799 2.36 1
O30 O 0.70811 0.29016 0.32835 0.94 0.978
H31 H 0.59175 0.2728 0.34773 3 0.482
H32 H 0.65286 0.33338 0.39098 3.38 0.417
H33 H 0.66062 0.32229 0.23748 2.31 1.001
O40 O 0.3692 0.15938 0.36919 1.23 0.887
O41 O 0.33283 0.12668 0.35814 1.35 0.128
H41 H 0.39007 0.14373 0.28329 2.5 0.91
H42 H 0.49359 0.13517 0.44553 2.88 0.704
H43 H 0.45146 0.15376 0.40785 15.99 0.314
H51 H 0.90889 0.20607 0.91977 1.42 0.098
H52 H 0.87863 0.31721 0.90312 4.9 0.119
O50 O 0.81646 0.25961 0.92491 1.42 0.119
# End of data for Yugawaralite