#*********************************************************************************
#
# Crystallographic Information File for Boggsite
#
# Reference :
# Pluth, J.J. and Smith, J.V.
# Am. Mineral., 75, 501-507, (1990)
#
#
# 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_Boggsite
_chemical_name_systematic 'Boggsite'
_cell_length_a 20.236
_cell_length_b 23.798
_cell_length_c 12.798
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I m m a'
_symmetry_space_group_name_H-M 'I m m a'
_symmetry_space_group_name_Hall '-I 2b 2'
_space_group.IT_number 74
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 0.18881 0.1855 0.6719 1.38 0.81
SI2 Si 0.19006 0.02407 0.3297 1.54 0.81
SI3 Si 0.07689 0.18517 0.8357 1.29 0.81
SI4 Si 0.07768 0.0221 0.1643 1.41 0.81
SI5 Si 0.22108 0.083 0.5378 1.35 0.81
SI6 Si 0.1227 0.08371 0.9656 1.35 0.81
AL1 Al 0.18881 0.1855 0.6719 1.38 0.19
AL2 Al 0.19006 0.02407 0.3297 1.54 0.19
AL3 Al 0.07689 0.18517 0.8357 1.29 0.19
AL4 Al 0.07768 0.0221 0.1643 1.41 0.19
AL5 Al 0.22108 0.083 0.5378 1.35 0.19
AL6 Al 0.1227 0.08371 0.9656 1.35 0.19
O1 O 0.1882 0.25 0.6291 2.37 1
O2 O 0.1194 0.1707 0.7322 2.67 1
O3 O 0.195 0.1456 0.5679 2.76 1
O4 O 0.19 0.0702 0.4236 2.85 1
O5 O 0.1194 0.0319 0.2722 2.85 1
O6 O 0.0893 0.25 0.8731 2.22 1
O7 O 0 0.1738 0.8043 2.46 1
O8 O 0 0.0263 0.1968 3.15 1
O9 O 0.1944 0.0379 0.6204 4.26 1
O10 O 0.0978 0.1464 0.9327 3.09 1
O11 O 0.0959 0.0725 0.0813 3.48 1
O12 O 0.2007 0.08 0.9682 5.61 1
O13 O 0.0949 0.0395 0.8847 3.63 1
O14 O 0.25 0.1755 0.75 3.15 1
O15 O 0.25 -0.0375 0.75 3.39 1
H2O1 O2-(H2O) 0 0.1735 0.136 55.26 1.85
H2O2 O2-(H2O) 0.1936 0.1701 0.203 37.89 1.35
H2O3 O2-(H2O) 0.193 0.25 0.057 19.74 0.92
H2O4 O2-(H2O) 0.1074 0.1754 0.372 33.96 1.16
H2O5 O2-(H2O) 0 0.175 0.57 113.7 3.2
H2O6 O2-(H2O) 0 0.0284 0.429 26.07 0.91
H2O7 O2-(H2O) 0.0562 0.1147 0.41 19.74 0.63
H2O8 O2-(H2O) 0.0431 0.0812 0.626 21.33 0.77
H2O9 O2-(H2O) 0.149 0.25 0.237 14.22 0.5
H2O10 O2-(H2O) 0.106 0.25 0.086 15 0.61
H2O11 O2-(H2O) 0.206 0.25 0.401 34.74 1.32
# End of data for Boggsite