#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001922.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_9001922
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: 67-3172, from Carr Fork Mine, Bingham, Utah in cpx hornfels rock
;
_journal_name_full               'American Mineralogist'
_journal_page_first              458
_journal_page_last               475
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum
;Al0.252 Ca1.904 F0.726 Fe0.905 H1.566 K0.096 Mg4.083 Mn0.02 Na0.232 O23.274
 Si7.788 Ti0.014
;
_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                 104.79
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.855
_cell_length_b                   18.069
_cell_length_c                   5.283
_cell_volume                     909.575
_database_code_amcsd             0001983
_exptl_crystal_density_diffrn    3.104
_cod_original_formula_sum
;Fe.905 Mn.02 Mg4.083 Al.252 Ti.014 Ca1.904 Na.232 Si7.788 K.096 H1.566
 O23.274 F.726
;
_cod_database_code               9001922
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 0.16500 Fe 0
Mn1 0.00000 0.08810 0.50000 0.00300 Mn 0
Mg1 0.00000 0.08810 0.50000 0.83200 Mg 0
Fe2 0.00000 0.17720 0.00000 0.20100 Fe 0
Mn2 0.00000 0.17720 0.00000 0.00600 Mn 0
Mg2 0.00000 0.17720 0.00000 0.77300 Mg 0
Al2 0.00000 0.17720 0.00000 0.02000 Al 0
Ti2 0.00000 0.17720 0.00000 0.00700 Ti 0
Fe3 0.00000 0.00000 0.00000 0.13100 Fe 0
Mg3 0.00000 0.00000 0.00000 0.86900 Mg 0
Fe4 0.00000 0.27780 0.50000 0.02100 Fe 0
Mn4 0.00000 0.27780 0.50000 0.00100 Mn 0
Mg4 0.00000 0.27780 0.50000 0.00200 Mg 0
Ca4 0.00000 0.27780 0.50000 0.95200 Ca 0
Na4 0.00000 0.27780 0.50000 0.02400 Na 0
Si1 0.28030 0.08410 0.29680 0.94700 Si 0
Al1 0.28030 0.08410 0.29680 0.05300 Al 0
Si2 0.28860 0.17100 0.80440 1.00000 Si 0
NaA(m) 0.03000 0.50000 0.06400 0.09200 Na 0
KA(m) 0.03000 0.50000 0.06400 0.04800 K 0
H 0.18600 0.00000 0.72900 0.78300 H 0
O1 0.11140 0.08620 0.21740 1.00000 O 0
O2 0.11910 0.17160 0.72440 1.00000 O 0
O3 0.10900 0.00000 0.71480 0.63700 O 0
F3 0.10900 0.00000 0.71480 0.36300 F 0
O4 0.36540 0.24780 0.79220 1.00000 O 0
O5 0.34600 0.13430 0.09930 1.00000 O 0
O6 0.34390 0.11860 0.59030 1.00000 O 0
O7 0.33710 0.00000 0.29180 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
;
2023-05-23T09:16:32+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 0001983
