#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/18/9001888.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_9001888
loop_
_publ_author_name
'Alietti, E.'
'Brigatti, M. F.'
'Poppi, L.'
_publ_section_title
;
 Clintonite-1M: Crystal chemistry and its relationships to closely
 associated Al-rich phlogopite
 Sample: Cli9b
;
_journal_name_full               'American Mineralogist'
_journal_page_first              936
_journal_page_last               945
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al3.35 Ca Fe0.15 H2 Mg2.22 O12 Si1.28'
_chemical_name_mineral           Clintonite-1M
_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                 100.30
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.2016
_cell_length_b                   9.005
_cell_length_c                   9.816
_cell_volume                     452.376
_database_code_amcsd             0001948
_exptl_crystal_density_diffrn    3.104
_cod_original_formula_sum        'Si1.28 Al3.35 Ca Fe.15 Mg2.22 O12 H2'
_cod_database_code               9001888
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_type_symbol
_atom_site_attached_hydrogens
Si 0.07070 0.16700 0.21030 0.32000 Si 0
Al 0.07070 0.16700 0.21030 0.68000 Al 0
Ca 0.00000 0.50000 0.00000 1.00000 Ca 0
Al1 0.00000 0.00000 0.50000 0.21000 Al 0
Fe1 0.00000 0.00000 0.50000 0.05000 Fe 0
Mg1 0.00000 0.00000 0.50000 0.74000 Mg 0
Al2 0.00000 0.32960 0.50000 0.21000 Al 0
Fe2 0.00000 0.32960 0.50000 0.05000 Fe 0
Mg2 0.00000 0.32960 0.50000 0.74000 Mg 0
O1 -0.07150 0.00000 0.15160 1.00000 O 0
O2 0.36190 0.18820 0.15100 1.00000 O 0
O3 0.12980 0.16860 0.38780 1.00000 O 0
O-H4 0.12930 0.50000 0.39770 1.00000 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 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:47:49+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:20:06+03:00
;Changed the following '_atom_site_aniso_label' values:
'OH4' -> 'O-H4'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001948
