#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/21/9002182.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_9002182
loop_
_publ_author_name
'Noe, D. C.'
'Veblen, D. R.'
_publ_section_title
;
 Incommensurate modulation and the crystal structure of ganophyllite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1088
_journal_page_last               1098
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'K0.46 Mn1.988 O9.439 Si3.184'
_chemical_name_mineral           Ganophyllite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.928
_cell_angle_gamma                90
_cell_length_a                   5.550
_cell_length_b                   13.539
_cell_length_c                   25.134
_cell_formula_units_Z            8
_cell_volume                     1884.169
_database_code_amcsd             0002250
_exptl_crystal_density_diffrn    2.592
_cod_original_formula_sum        'K.46 Mn1.988 Si3.184 O9.439'
_cod_database_code               9002182
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 0.25800 0.35240 0.05850 0.20500
K2 0.95600 0.38500 0.03090 0.15100
K3 0.36100 0.34800 0.04800 0.10400
Mn1A 0.99203 0.06124 0.23549 0.74100
Mn1B 0.50160 0.43550 0.25819 0.25600
Mn2A 0.49820 0.18810 0.24734 0.70800
Mn2B 0.49210 0.18840 0.23755 0.28300
Si1 0.80020 0.44606 0.15160 0.94600
Si2A 0.81590 0.21867 0.13916 0.71300
Si2B 0.75340 0.21760 0.13407 0.25500
Si3 0.29760 0.10531 0.12889 0.63400
Si4 0.48700 0.93190 0.06368 0.33000
Si5 0.55700 0.07180 0.06243 0.30600
O1A 0.51380 0.17680 0.11670 0.54600
O2A 0.05520 0.17100 0.11470 0.62500
O2B 0.95600 0.16720 0.09930 0.33600
O3 0.81270 0.33470 0.12518 0.96800
O4 0.03390 0.50680 0.12930 0.97900
O5A 0.76460 0.96890 0.07040 0.37900
O5B 0.79230 0.98530 0.08800 0.55200
O6 0.31530 0.06760 0.19249 1.10600
O7 0.81990 0.19650 0.20062 1.03600
O8 0.82390 0.44090 0.21748 1.00700
O9 0.32620 0.32070 0.21246 1.08600
O10A 0.62100 0.41000 0.49670 0.40000
O10B 0.75000 0.34500 0.50000 0.40000
O11 0.50000 0.50000 0.50000 0.51000
O12 0.25000 0.18600 0.00000 0.04800
O13 0.75000 0.32600 0.00000 0.35000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002250
