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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007275.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_9007275
loop_
_publ_author_name
'Iezzi, G.'
'Camara, F.'
'Della Ventura, G.'
'Oberti, R.'
'Pedrazzi, G.'
'Robert, J.-L.'
_publ_section_title
;Synthesis, crystal structure and crystal chemistry of
 ferri-clinoholmquistite, _Li2Mg3Fe3+2Si8O22(OH)2 Sample: 152
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              375
_journal_page_last               385
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Fe2.09 H2 Li1.46 Mg3.65 O24 Si8'
_chemical_name_mineral           Ferri-clinoholmquistite
_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                 101.84
_cell_angle_gamma                90
_cell_length_a                   9.466
_cell_length_b                   17.970
_cell_length_c                   5.288
_cell_formula_units_Z            2
_cell_volume                     880.372
_database_code_amcsd             0008866
_exptl_crystal_density_diffrn    3.117
_cod_original_formula_sum        'Li1.46 Mg3.65 Fe2.09 Si8 O24 H2'
_cod_database_code               9007275
loop_
_space_group_symop_operation_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
LiA2 0.00000 0.44000 0.50000 0.10000 ?
Mg1 0.00000 0.08830 0.50000 0.80000 0.01267
Fe2+1 0.00000 0.08830 0.50000 0.20000 0.01267
Fe3+2 0.00000 0.18110 0.00000 0.52000 0.00760
Mg2 0.00000 0.18110 0.00000 0.48000 0.00760
Mg3 0.00000 0.00000 0.00000 0.80000 0.00633
Fe2+3 0.00000 0.00000 0.00000 0.20000 0.00633
Li4 0.00000 0.25660 0.50000 0.63000 0.01900
Fe2+4 0.00000 0.25660 0.50000 0.22500 0.01900
Mg4 0.00000 0.25660 0.50000 0.14500 0.01900
Si1 0.28830 0.08520 0.27230 1.00000 0.00887
Si2 0.29780 0.17020 0.78350 1.00000 0.00760
O1 0.11450 0.08790 0.20670 1.00000 0.01393
O2 0.12250 0.17250 0.72380 1.00000 0.01013
O3 0.11150 0.00000 0.70170 1.00000 0.01267
O4 0.37600 0.24870 0.77050 1.00000 0.01267
O5 0.35220 0.13030 0.05870 1.00000 0.01140
O6 0.34810 0.11890 0.55830 1.00000 0.01393
O7 0.34250 0.00000 0.27400 1.00000 0.01393
H 0.19000 0.00000 0.74000 1.00000 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008866
