#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001925.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_9001925
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: C71, 67-3701, 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
;Al0.182 Ca1.89 Cl0.034 F0.406 Fe1.166 H1.556 K0.066 Mg2.71 Mn0.444 Na0.212
 O23.56 Si7.836 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                 104.78
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.863
_cell_length_b                   18.090
_cell_length_c                   5.282
_cell_volume                     911.241
_database_code_amcsd             0001986
_exptl_crystal_density_diffrn    3.102
_exptl_crystal_thermal_history   'after heating at 700 C'
_cod_original_formula_sum
;Fe1.166 Mn.444 Mg2.71 Al.182 Ti.004 Ca1.89 Na.212 Si7.836 K.066 H1.556 O23.56
 F.406 Cl.034
;
_cod_database_code               9001925
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 0.08820 0.50000 0.21400 Fe 0
Mn1 0.00000 0.08820 0.50000 0.21400 Mn 0
Mg1 0.00000 0.08820 0.50000 0.21400 Mg 0
Fe2 0.00000 0.17730 0.00000 0.25900 Fe 0
Mn2 0.00000 0.17730 0.00000 0.00700 Mn 0
Mg2 0.00000 0.17730 0.00000 0.72300 Mg 0
Al2 0.00000 0.17730 0.00000 0.00900 Al 0
Ti2 0.00000 0.17730 0.00000 0.00200 Ti 0
Fe3 0.00000 0.00000 0.00000 0.17800 Fe 0
Mg3 0.00000 0.00000 0.00000 0.82200 Mg 0
Fe4 0.00000 0.27760 0.50000 0.02100 Fe 0
Mn4 0.00000 0.27760 0.50000 0.00100 Mn 0
Mg4 0.00000 0.27760 0.50000 0.00700 Mg 0
Ca4 0.00000 0.27760 0.50000 0.94500 Ca 0
Na4 0.00000 0.27760 0.50000 0.02600 Na 0
Si1 0.28040 0.08400 0.29650 0.95900 Si 0
Al1 0.28040 0.08400 0.29650 0.04100 Al 0
Si2 0.28870 0.17090 0.80380 1.00000 Si 0
NaA(m) 0.02900 0.50000 0.06100 0.08000 Na 0
KA(m) 0.02900 0.50000 0.06100 0.03300 K 0
H 0.20000 0.00000 0.73200 0.77800 H 0
O1 0.11150 0.08600 0.21700 1.00000 O 0
O2 0.11930 0.17130 0.72290 1.00000 O 0
O3 0.10920 0.00000 0.71490 0.78000 O 0
F3 0.10920 0.00000 0.71490 0.20300 F 0
Cl3 0.10920 0.00000 0.71490 0.01700 Cl 0
O4 0.36540 0.24740 0.79240 1.00000 O 0
O5 0.34620 0.13400 0.09850 1.00000 O 0
O6 0.34390 0.11860 0.58920 1.00000 O 0
O7 0.33750 0.00000 0.29160 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
;
2023-05-23T09:16:24+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 0001986
