#*********************************************************************************
#
# Crystallographic Information File for Goosecreekite
#
# Reference :
# Rouse, R.C. and Peacor, D.R.
# Am. Mineral., 71, 1494-1501, (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_Goosecreekite
_chemical_name_systematic 'Goosecreekite'

_cell_length_a 7.401
_cell_length_b 17.439
_cell_length_c 7.293
_cell_angle_alpha 90
_cell_angle_beta 105.44
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 21 1'
_symmetry_space_group_name_H-M 'P 1 21 1'
_symmetry_space_group_name_Hall 'P 2yb'
_space_group.IT_number 4

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
CA Ca 0.6557 0.2721 0.1969 1.78 1
SI1 Si 0.3374 0.4732 0.6282 1.18 1
SI2 Si 0.3168 0.1294 0.5997 1.12 1
SI3 Si 0.0219 0.2599 0.5249 1.03 1
SI4 Si 0.1044 0.0578 0.8612 1.08 1
SI5 Si 0.0892 0.3877 0.8325 1.07 1
SI6 Si 0.2394 0.0045 0.2768 1.06 1
AL1 Al 0.7482 0.1285 0.5887 1 1
AL2 Al 0.0682 0.3982 0.2632 1.02 1
O1 O 0.7228 0.0612 0.4105 2 1
O2 O 0.5336 0.1478 0.6346 1.87 1
O3 O 0.8372 0.2097 0.5064 1.33 1
O4 O 0.9065 0.1001 0.7936 1.78 1
O5 O 0.2607 0.4392 0.8023 1.77 1
O6 O 0.2666 0.4226 0.4408 1.51 1
O7 O 0.5594 0.4662 0.7062 2.12 1
O8 O 0.2017 0.2065 0.5155 1.6 1
O9 O 0.2657 0.1069 0.7949 1.65 1
O10 O 0.2515 0.0596 0.4581 1.86 1
O11 O 0.0811 0.3051 0.7261 1.68 1
O12 O 0.9698 0.3179 0.3431 1.58 1
O13 O 0.9052 0.4718 0.2174 2.09 1
O14 O 0.1728 0.0585 0.0904 1.98 1
O15 O 0.1202 0.3741 0.0505 1.91 1
O16 O 0.9022 0.4346 0.7315 2.06 1
H2O1 O2-(H2O) 0.3512 0.2234 0.0964 4.83 1
H2O2 O2-(H2O) 0.6565 0.2989 0.8717 4.81 1
H2O3 O2-(H2O) 0.5102 0.3063 0.4504 3.5 1
H2O4 O2-(H2O) 0.7574 0.153 0.1048 3.92 1
H2O5 O2-(H2O) 0.565 0.4074 0.1595 3.73 1
# End of data for Goosecreekite