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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002828.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_9002828
loop_
_publ_author_name
'Redhammer, G. J.'
'Roth, G.'
_publ_section_title
;
 Single-crystal structure refinements and crystal chemistry of
 synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
 M = Ni, Mg, Co, Fe, Al
 Sample: NiPhl#6 - Ni
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.08 H2 K Ni3 O12 Si2.92'
_chemical_name_mineral           Phlogopite
_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                 99.921
_cell_angle_gamma                90
_cell_length_a                   5.3023
_cell_length_b                   9.1804
_cell_length_c                   10.2911
_cell_formula_units_Z            2
_cell_volume                     493.451
_database_code_amcsd             0002917
_exptl_crystal_density_diffrn    3.502
_cod_original_formula_sum        '(Al1.08 Si2.92) Ni3 K O12 H2'
_cod_database_code               9002828
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
AlT 0.57689 0.16663 0.23009 0.27000 0.00697
SiT 0.57689 0.16663 0.23009 0.73000 0.00697
NiM1 0.00000 0.50000 0.50000 1.00000 0.00836
NiM2 0.00000 0.83198 0.50000 1.00000 0.00836
K 0.00000 0.00000 0.00000 1.00000 0.03508
O1 0.83411 0.22589 0.17263 1.00000 0.01811
O2 0.50706 0.00000 0.17330 1.00000 0.01874
O3 0.63163 0.16634 0.39342 1.00000 0.00899
O4 0.13367 0.00000 0.39940 1.00000 0.00963
H 0.10300 0.00000 0.30900 1.00000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002917
