#------------------------------------------------------------------------------
#$Date: 2023-05-18 10:14:51 +0300 (Thu, 18 May 2023) $
#$Revision: 283850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/49/9014960.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_9014960
loop_
_publ_author_name
'Guven, N.'
_publ_section_title
;
 The crystal structures of 2M1 phengite and 2M1 muscovite
 Note: sample 2M1 muscovite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              196
_journal_page_last               212
_journal_volume                  134
_journal_year                    1971
_chemical_compound_source        'pegmatite in Georgia, USA'
_chemical_formula_sum            'Al2.9 Fe0.04 H2 K0.86 Mg0.06 Na0.1 O12 Si3'
_chemical_name_mineral           Muscovite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.757
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1906
_cell_length_b                   9.0080
_cell_length_c                   20.0470
_cell_volume                     932.608
_database_code_amcsd             0019602
_exptl_crystal_density_diffrn    2.821
_cod_original_formula_sum        'K.86 Na.1 Al2.9 Fe.04 Mg.06 Si3 O12 H2'
_cod_database_code               9014960
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
_atom_site_type_symbol
_atom_site_attached_hydrogens
K 0.00000 0.09850 0.25000 0.86000 0.02026 K 0
Na 0.00000 0.09850 0.25000 0.10000 0.02026 Na 0
Al 0.24960 0.08340 0.99990 0.95000 0.00595 Al 0
Fe 0.24960 0.08340 0.99990 0.02000 0.00595 Fe 0
Mg 0.24960 0.08340 0.99990 0.03000 0.00595 Mg 0
AlT1 0.96480 0.42950 0.13550 0.25000 0.00684 Al 0
SiT1 0.96480 0.42950 0.13550 0.75000 0.00684 Si 0
AlT2 0.45100 0.25840 0.13550 0.25000 0.00684 Al 0
SiT2 0.45100 0.25840 0.13550 0.75000 0.00684 Si 0
Oa 0.96130 0.44350 0.05400 1.00000 0.01064 O 0
Ob 0.38500 0.25190 0.05370 1.00000 0.00975 O 0
Oc 0.41740 0.09300 0.16850 1.00000 0.01355 O 0
Od 0.75130 0.31100 0.15750 1.00000 0.01697 O 0
Oe 0.25220 0.37050 0.16890 1.00000 0.01482 O 0
O-H 0.95640 0.06300 0.05050 1.00000 0.00950 O 1
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
;
2023-05-18T08:45:31+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 0019602
