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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/71/9007177.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_9007177
loop_
_publ_author_name
'Comodi, P.'
'Drabek, M.'
'Montagnoli, M.'
'Rieder, M.'
'Weiss, Z.'
'Zanazzi, P. F.'
_publ_section_title
;
 Pressure-induced phase transition in synthetic trioctahedral Rb-mica
 Sample: P = 7.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              198
_journal_page_last               205
_journal_paper_doi               10.1007/s00269-003-0317-3
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'Fe4.07 H2 O12 Rb0.99 Si2.96'
_chemical_name_mineral           Mica
_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                 100.7
_cell_angle_gamma                90
_cell_length_a                   5.410
_cell_length_b                   9.325
_cell_length_c                   9.645
_cell_volume                     478.113
_diffrn_ambient_pressure         7.2e+06
_exptl_crystal_density_diffrn    4.092
_cod_original_formula_sum        'Rb.99 Fe4.07 Si2.96 O12 H2'
_cod_database_code               9007177
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
Rb 0.00000 0.50000 0.00000 0.99000 0.14600
FeM1 0.00000 0.00000 0.50000 1.00000 0.01500
FeM2 0.00000 0.33400 0.50000 1.00000 0.01200
FeT 0.06800 0.16700 0.21100 0.26750 0.02700
SiT 0.06800 0.16700 0.21100 0.74000 0.02700
O1 0.09000 0.00000 0.17000 1.00000 0.09600
O2 0.27600 0.27100 0.16000 1.00000 0.07600
O3 0.12900 0.16400 0.39000 1.00000 0.01400
O-H 0.13100 0.50000 0.37200 1.00000 ?