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#$Date: 2024-08-03 09:56:24 +0200 (Sat 03 de Aug de 2024) $
#$Revision: 293656 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/21/9002141.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_9002141
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
'Weiss Z'
'Rieder M'
'Drabek M'
_publ_section_title
;
 "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
 potential nuclear waste disposal phase
 T = 23 deg C, P = 39.4 kbar, crystal 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              325
_journal_page_last               332
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.04 Cs0.89 Fe3.92 O12 Si3.04'
_chemical_name_mineral           Tetra-ferri-annite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.2
_cell_angle_gamma                90
_cell_length_a                   5.444
_cell_length_b                   9.439
_cell_length_c                   10.185
_cell_formula_units_Z            2
_cell_volume                     515.094
_diffrn_ambient_pressure         3.94e+06
_diffrn_ambient_temperature      296.15
_cod_original_formula_sum        'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cod_database_code               9002141
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs 0.00000 0.50000 0.00000 0.89000 0.01600
Fe1 0.00000 0.00000 0.50000 1.00000 0.01000
Fe2 0.00000 0.33270 0.50000 1.00000 0.00900
Si 0.07530 0.16660 0.22520 0.76000 0.01200
Fe 0.07530 0.16660 0.22520 0.23000 0.01200
Al 0.07530 0.16660 0.22520 0.01000 0.01200
O1 0.06100 0.00000 0.17300 1.00000 0.03000
O2 0.30600 0.24900 0.16900 1.00000 0.03000
O3 0.13100 0.16700 0.39400 1.00000 0.01000
O4 0.13100 0.50000 0.39200 1.00000 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002203
2 AMCSD 0002209
loop_
_[local]_alternative_name_id
_[local]_alternative_name_type
_[local]_alternative_name_source
_[local]_alternative_name_source_id
_[local]_alternative_name_value
1 mineral AMCSD 0002203 "Tetra-ferri-annite"
2 mineral AMCSD 0002209 "Tetraferriannite"
_database_code_amcsd 0002203
