#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/17/9011786.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011786
loop_
_publ_author_name
'Staples, L. W.'
'Gard, J. A.'
_publ_section_title
;
 The fibrous zeolite erionite; its occurrence, unit cell, and structure
 Note: K atom was not located
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              261
_journal_page_last               281
_journal_paper_doi               10.1180/minmag.1959.032.247.01
_journal_volume                  32
_journal_year                    1959
_chemical_compound_source
'Durkee opal mine, Swayze Creek, Baker County, Oregon, USA'
_chemical_formula_sum            'Al0.25 O2 Si0.75'
_chemical_name_mineral           Erionite-K
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.26
_cell_length_b                   13.26
_cell_length_c                   15.12
_cell_formula_units_Z            36
_cell_volume                     2302.340
_database_code_amcsd             0014439
_exptl_crystal_density_diffrn    1.553
_cod_original_formula_sum        '(Al.25 Si.75) O2'
_cod_database_code               9011786
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 0.00000 0.23700 0.10600 0.25000
Si1 0.00000 0.23700 0.10600 0.75000
Al2 0.08800 0.42100 0.25000 0.25000
Si2 0.08800 0.42100 0.25000 0.75000
O1 0.01700 0.35000 0.16200 1.00000
O2 0.10600 0.21200 0.12800 1.00000
O3 0.12300 0.24600 -0.13300 1.00000
O4 0.00000 0.26200 0.00000 1.00000
O5 0.21700 0.43400 0.25000 1.00000
O6 0.45000 0.90000 0.25000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014439
