#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000701.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_9000701
loop_
_publ_author_name
'Ribbe, P. H.'
_publ_section_title
;
 The structure of a strained intermediate microcline in cryptoperthitic
 association with twinned plagioclase
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              402
_journal_page_last               408
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Kongnat syenite, SW Greenland'
_chemical_formula_sum            'Al K O8 Si3'
_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                90.1
_cell_angle_beta                 116.2
_cell_angle_gamma                89.6
_cell_formula_units_Z            4
_cell_length_a                   8.643
_cell_length_b                   12.929
_cell_length_c                   7.190
_cell_volume                     720.883
_database_code_amcsd             0000714
_exptl_crystal_density_diffrn    2.565
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9000701
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 0.28670 0.99850 0.14060 1.00000 K 0
Si1o 0.00950 0.18440 0.22250 0.75000 Si 0
Al1o 0.00950 0.18440 0.22250 0.25000 Al 0
Si1m 0.00910 0.81680 0.22490 0.75000 Si 0
Al1m 0.00910 0.81680 0.22490 0.25000 Al 0
Si2o 0.71050 0.11840 0.34130 0.75000 Si 0
Al2o 0.71050 0.11840 0.34130 0.25000 Al 0
Si2m 0.70950 0.88260 0.34330 0.75000 Si 0
Al2m 0.70950 0.88260 0.34330 0.25000 Al 0
Oa1 0.00050 0.14400 0.99770 1.00000 O 0
Oa2 0.63820 0.00110 0.28090 1.00000 O 0
Obo 0.82510 0.14720 0.22280 1.00000 O 0
Obm 0.82780 0.85340 0.22740 1.00000 O 0
Oco 0.03670 0.31160 0.25800 1.00000 O 0
Ocm 0.03780 0.69030 0.26020 1.00000 O 0
Odo 0.18150 0.12400 0.40750 1.00000 O 0
Odm 0.17900 0.87490 0.40850 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
;
2023-05-18T11:36:25+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 0000714
