#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000189.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_9000189
loop_
_publ_author_name
'Bailey, S. W.'
_publ_section_title
;
 Refinement of an intermediate microcline structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1540
_journal_page_last               1545
_journal_volume                  54
_journal_year                    1969
_chemical_formula_sum            'Al0.93 K O8 Si3.07'
_chemical_name_mineral           Microcline
_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                90.30
_cell_angle_beta                 116.03
_cell_angle_gamma                89.125
_cell_formula_units_Z            4
_cell_length_a                   8.5784
_cell_length_b                   12.9600
_cell_length_c                   7.2112
_cell_volume                     720.306
_database_code_amcsd             0000194
_exptl_crystal_density_diffrn    2.567
_cod_original_formula_sum        'K (Al.93 Si3.07) O8'
_cod_database_code               9000189
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
_atom_site_type_symbol
_atom_site_attached_hydrogens
K 0.28370 -0.00320 0.13780 1.00000 K 0
Al1o 0.00950 0.18560 0.22140 0.60000 Al 0
Si1o 0.00950 0.18560 0.22140 0.40000 Si 0
Si1m 0.00950 0.81730 0.22800 0.77000 Si 0
Al1m 0.00950 0.81730 0.22800 0.23000 Al 0
Si2o 0.70980 0.11890 0.34210 0.94000 Si 0
Al2o 0.70980 0.11890 0.34210 0.06000 Al 0
Si2m 0.70760 0.88330 0.34660 0.96000 Si 0
Al2m 0.70760 0.88330 0.34660 0.04000 Al 0
OA1 -0.00050 0.14470 -0.00720 1.00000 O 0
OA2 0.63690 0.00200 0.28570 1.00000 O 0
OBo 0.82380 0.14680 0.22390 1.00000 O 0
OBm 0.82790 0.85450 0.23310 1.00000 O 0
OCo 0.03500 0.31530 0.25490 1.00000 O 0
OCm 0.03660 0.69140 0.26350 1.00000 O 0
ODo 0.18420 0.12450 0.40650 1.00000 O 0
ODm 0.17770 0.87410 0.40950 1.00000 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:14:17+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000194
