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#$Date: 2023-05-18 15:51:33 +0300 (Thu, 18 May 2023) $
#$Revision: 283866 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/83/9008378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9008378
loop_
_publ_author_name
'Alberti A'
'Sabelli C'
_publ_section_title
;
 Statistical and true symmetry of ferrierite:
 possible absence of straight T-O-T bridging bonds
 Locality: Monastir, Sardinia, Italy
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               256
_journal_volume                  178
_journal_year                    1987
_chemical_formula_sum            'Al2.28 H22 K0.82 Mg O47.56 Si15.72'
_chemical_name_mineral           Ferrierite-Mg
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.2310
_cell_length_b                   14.145
_cell_length_c                   7.499
_cell_volume                     2039.897
_cod_original_formula_sum        'K.82 Mg (Si15.72 Al2.28) O47.56 H22'
_cod_database_code               9008378
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
K K 0.42540 0.00000 0.00000 0.41000 0.07346 0
Mg Mg 0.00000 0.00000 0.50000 1.00000 0.03546 0
Si Si1 0.15500 0.00000 0.00000 0.88000 0.01646 0
Al Al1 0.15500 0.00000 0.00000 0.12000 0.01646 0
Si Si2 0.08380 0.20230 0.00000 0.69000 0.01393 0
Al Al2 0.08380 0.20230 0.00000 0.31000 0.01393 0
Si Si3 0.27150 0.00000 0.29220 0.88000 0.02026 0
Al Al3 0.27150 0.00000 0.29220 0.12000 0.02026 0
Si Si4 0.32310 0.20260 0.20690 0.96000 0.01520 0
Al Al4 0.32310 0.20260 0.20690 0.04000 0.01520 0
O O1 0.00000 0.21580 0.00000 1.00000 0.03293 0
O O2 0.24950 0.00000 0.50000 1.00000 0.03673 0
O O3 0.10290 0.08920 0.00000 1.00000 0.05066 0
O O4 0.20190 0.00000 0.17770 1.00000 0.06079 0
O O5 0.25000 0.25000 0.25000 1.00000 0.05066 0
O O6 0.15640 0.28130 0.50000 1.00000 0.04053 0
O O7 0.11510 0.25050 0.18220 1.00000 0.03800 0
O O8 0.32090 0.09120 0.24700 1.00000 0.04433 0
O Wat1 0.00000 0.00000 0.23510 1.00000 0.04306 2
O Wat2 0.09820 0.06680 0.50000 0.50000 0.06459 2
O Wat3 0.04580 0.13290 0.50000 0.50000 0.13298 2
O Wat4 0.00000 0.42120 0.20710 0.50000 0.32296 2
O Wat5 0.00000 0.65680 0.36700 0.50000 0.21024 2
O Wat6 0.05380 0.50000 0.25640 0.39000 0.07346 2
