#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001923.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_9001923
loop_
_publ_author_name
'Evans, B. W.'
'Yang, H.'
_publ_section_title
;Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient and
 high temperature Sample: C70, 67-3172, from Carr Fork Mine, Bingham, Utah in
 cpx hornfels rock after heating at 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              458
_journal_page_last               475
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum
;Al0.204 Ca1.954 F0.276 Fe0.947 H1.696 K0.096 Mg4.031 Mn0.014 Na0.152 O23.724
 Si7.82 Ti0.004
;
_chemical_name_mineral           Actinolite
_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                 104.89
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.852
_cell_length_b                   18.066
_cell_length_c                   5.282
_cell_volume                     908.555
_database_code_amcsd             0001984
_exptl_crystal_density_diffrn    3.104
_exptl_crystal_thermal_history   'after heating at 700 C'
_cod_original_formula_sum
;Fe.947 Mn.014 Mg4.031 Al.204 Ti.004 Ca1.954 Na.152 Si7.82 K.096 H1.696
 O23.724 F.276
;
_cod_database_code               9001923
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
Fe1 0.00000 0.08810 0.50000 0.18300 Fe 0
Mn1 0.00000 0.08810 0.50000 0.00200 Mn 0
Mg1 0.00000 0.08810 0.50000 0.81500 Mg 0
Fe2 0.00000 0.17730 0.00000 0.21700 Fe 0
Mn2 0.00000 0.17730 0.00000 0.00500 Mn 0
Mg2 0.00000 0.17730 0.00000 0.76400 Mg 0
Al2 0.00000 0.17730 0.00000 0.01200 Al 0
Ti2 0.00000 0.17730 0.00000 0.00200 Ti 0
Fe3 0.00000 0.00000 0.00000 0.13300 Fe 0
Mg3 0.00000 0.00000 0.00000 0.86700 Mg 0
Fe4 0.00000 0.27770 0.50000 0.00700 Fe 0
Mg4 0.00000 0.27770 0.50000 0.00300 Mg 0
Ca4 0.00000 0.27770 0.50000 0.97700 Ca 0
Na4 0.00000 0.27770 0.50000 0.01300 Na 0
Si1 0.28030 0.08400 0.29640 0.95500 Si 0
Al1 0.28030 0.08400 0.29640 0.04500 Al 0
Si2 0.28860 0.17090 0.80390 1.00000 Si 0
NaA(m) 0.03000 0.50000 0.06100 0.06300 Na 0
KA(m) 0.03000 0.50000 0.06100 0.04800 K 0
H 0.19400 0.00000 0.73600 0.84800 H 0
O1 0.11160 0.08600 0.21720 1.00000 O 0
O2 0.11940 0.17140 0.72320 1.00000 O 0
O3 0.10930 0.00000 0.71470 0.86200 O 0
F3 0.10930 0.00000 0.71470 0.13800 F 0
O4 0.36520 0.24750 0.79230 1.00000 O 0
O5 0.34590 0.13400 0.09850 1.00000 O 0
O6 0.34370 0.11860 0.58900 1.00000 O 0
O7 0.33700 0.00000 0.29150 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
;
2023-05-23T09:16:34+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 0001984
