#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000766.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_9000766
loop_
_publ_author_name
'Joswig, W.'
'Fuess, H.'
'Rothbauer, R.'
'Takeuchi, Y.'
'Mason, S. A.'
_publ_section_title
;
 A neutron diffraction study of a one-layer triclinic chlorite (penninite)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              349
_journal_page_last               352
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al1.64 Fe0.3 H7.86 Mg4.9 O17.98 Si3.16'
_chemical_name_mineral           Penninite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.16
_cell_angle_gamma                90.
_cell_length_a                   5.3266
_cell_length_b                   9.232
_cell_length_c                   14.399
_cell_formula_units_Z            2
_cell_volume                     702.552
_database_code_amcsd             0000779
_exptl_crystal_density_diffrn    2.668
_cod_original_formula_sum        'Mg4.9 Fe.3 Al1.64 Si3.16 O17.98 H7.86'
_cod_database_code               9000766
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mgt1 0.00000 0.00000 0.00000 0.80000
Fet1 0.00000 0.00000 0.00000 0.10000
Alt1 0.00000 0.00000 0.00000 0.10000
Mgt2 0.00070 0.33360 -0.00004 0.80000
Fet2 0.00070 0.33360 -0.00004 0.10000
Alt2 0.00070 0.33360 -0.00004 0.10000
Mgb1 0.00040 0.16670 0.50000 0.87500
Alb1 0.00040 0.16670 0.50000 0.12500
Mgb2 0.00000 0.50000 0.50000 0.75000
Alb2 0.00000 0.50000 0.50000 0.25000
Si1 0.23100 0.16720 0.19170 0.79000
Al1 0.23100 0.16720 0.19170 0.21000
Si2 0.73140 0.00070 0.19170 0.79000
Al2 0.73140 0.00070 0.19170 0.21000
O1 0.19320 0.16710 0.07697 1.00000
O2 0.69220 0.00020 0.07689 1.00000
O3 0.21200 0.33410 0.23254 1.00000
O4 0.51140 0.10030 0.23259 1.00000
O5 0.01120 0.06760 0.23249 1.00000
O6 0.69140 0.33340 0.07300 0.99000
O7 0.14650 -0.00020 0.43010 1.00000
O8 0.14170 0.33460 0.43010 1.00000
O9 0.64130 0.16490 0.43030 1.00000
H1 0.71390 0.33390 0.13990 0.93000
H2 0.11930 0.00540 0.36320 1.00000
H3 0.13030 0.33530 0.36290 1.00000
H4 0.61430 0.15940 0.36350 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000779
