#------------------------------------------------------------------------------
#$Date: 2025-11-01 13:29:51 +0100 (Sat 01 de Nov de 2025) $
#$Revision: 303136 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/19/9001920.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_9001920
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: NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock
;
_journal_name_full               'American Mineralogist'
_journal_page_first              458
_journal_page_last               475
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum
;Al0.122 Ca1.802 Fe0.575 H1.94 K0.014 Mg4.479 Mn0.016 Na0.124 O24 Si7.94
 Ti0.002
;
_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                 104.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.834
_cell_length_b                   18.078
_cell_length_c                   5.283
_cell_volume                     908.755
_database_code_amcsd             0001981
_exptl_crystal_density_diffrn    3.033
_cod_original_formula_sum
'Fe.575 Mn.016 Mg4.479 Al.122 Ti.002 Ca1.802 Na.124 Si7.94 K.014 H1.94 O24'
_cod_database_code               9001920
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 0.08790 0.50000 0.09500 Fe 0
Mn1 0.00000 0.08790 0.50000 0.00200 Mn 0
Mg1 0.00000 0.08790 0.50000 0.90300 Mg 0
Fe2 0.00000 0.17700 0.00000 0.09200 Fe 0
Mn2 0.00000 0.17700 0.00000 0.00300 Mn 0
Mg2 0.00000 0.17700 0.00000 0.87300 Mg 0
Al2 0.00000 0.17700 0.00000 0.03100 Al 0
Ti2 0.00000 0.17700 0.00000 0.00100 Ti 0
Fe3 0.00000 0.00000 0.00000 0.09500 Fe 0
Mg3 0.00000 0.00000 0.00000 0.90500 Mg 0
Fe4 0.00000 0.27690 0.50000 0.05300 Fe 0
Mn4 0.00000 0.27690 0.50000 0.00300 Mn 0
Mg4 0.00000 0.27690 0.50000 0.01100 Mg 0
Ca4 0.00000 0.27690 0.50000 0.90100 Ca 0
Na4 0.00000 0.27690 0.50000 0.03200 Na 0
Si1 0.28050 0.08410 0.29580 0.98500 Si 0
Al1 0.28050 0.08410 0.29580 0.01500 Al 0
Si2 0.28900 0.17100 0.80390 1.00000 Si 0
KA(m) 0.04800 0.50000 0.04900 0.00700 K 0
NaA(m) 0.04800 0.50000 0.04900 0.03000 Na 0
H 0.19000 0.00000 0.76500 0.97000 H 0
O1 0.11160 0.08650 0.21630 1.00000 O 0
O2 0.11910 0.17150 0.72450 1.00000 O 0
O3 0.11000 0.00000 0.71570 1.00000 O 0
O4 0.36630 0.24770 0.79120 1.00000 O 0
O5 0.34680 0.13420 0.09870 1.00000 O 0
O6 0.34400 0.11840 0.58800 1.00000 O 0
O7 0.33670 0.00000 0.29070 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
;
2023-05-23T09:16:29+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 0001981
2 ROD 1000019
3 ROD 1000020
4 ROD 1000033
5 ROD 1000141
6 ROD 1000193
7 ROD 1000203
8 ROD 1000204
9 ROD 1000318
