#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007175.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_9007175
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 = 2.81 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              198
_journal_page_last               205
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'Fe4.07 H2 O12 Rb0.99 Si2.96'
_chemical_name_mineral           Mica
_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                   5.412
_cell_length_b                   9.392
_cell_length_c                   10.120
_cell_volume                     506.265
_diffrn_ambient_pressure         2.81e+06
_[local]_cod_chemical_formula_sum_orig 'Rb.99 Fe4.07 Si2.96 O12 H2'
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 0.08500
FeM1 0.00000 0.00000 0.50000 1.00000 0.00600
FeM2 0.00000 0.33280 0.50000 1.00000 0.00600
FeT 0.07500 0.16610 0.22200 0.26750 0.01800
SiT 0.07500 0.16610 0.22200 0.74000 0.01800
O1 0.02100 0.00000 0.17400 1.00000 0.06300
O2 0.31800 0.23600 0.15200 1.00000 0.06600
O3 0.13000 0.16400 0.38900 1.00000 0.01100
O-H 0.12200 0.50000 0.36000 1.00000 0.00200
_cod_database_code 9007175