#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001928.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_9001928
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: 11B, from Luce Lake, Labrador, Canada in an iron formation
;
_journal_name_full               'American Mineralogist'
_journal_page_first              458
_journal_page_last               475
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum
;Al0.008 Ca1.838 Cl0.036 F0.038 Fe2.762 H1.854 Mg2.336 Mn0.024 Na0.036 O23.926
 Si8
;
_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                 104.54
_cell_angle_gamma                90
_cell_length_a                   9.891
_cell_length_b                   18.190
_cell_length_c                   5.297
_cell_formula_units_Z            2
_cell_volume                     922.499
_database_code_amcsd             0001989
_exptl_crystal_density_diffrn    3.234
_cod_original_formula_sum
'Fe2.762 Mn.024 Mg2.336 Al.008 Ca1.838 Na.036 Si8 H1.854 O23.926 F.038 Cl.036'
_cod_database_code               9001928
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
Fe1 0.00000 0.08880 0.50000 0.56400
Mn1 0.00000 0.08880 0.50000 0.00300
Mg1 0.00000 0.08880 0.50000 0.43300
Fe2 0.00000 0.17850 0.00000 0.50000
Mn2 0.00000 0.17850 0.00000 0.00800
Mg2 0.00000 0.17850 0.00000 0.49000
Al2 0.00000 0.17850 0.00000 0.00200
Fe3 0.00000 0.00000 0.00000 0.51000
Mg3 0.00000 0.00000 0.00000 0.49000
Fe4 0.00000 0.27670 0.50000 0.06200
Mn4 0.00000 0.27670 0.50000 0.00100
Ca4 0.00000 0.27670 0.50000 0.91900
Na4 0.00000 0.27670 0.50000 0.01800
Si1 0.27970 0.08390 0.29360 0.99900
Al1 0.27970 0.08390 0.29360 0.00100
Si2 0.28910 0.17020 0.80130 1.00000
H 0.19100 0.00000 0.73600 0.92700
O1 0.11250 0.08720 0.21440 1.00000
O2 0.12120 0.17280 0.72290 1.00000
O3 0.11170 0.00000 0.71480 0.96300
F3 0.11170 0.00000 0.71480 0.01900
Cl3 0.11170 0.00000 0.71480 0.01800
O4 0.36730 0.24580 0.79120 1.00000
O5 0.34520 0.13240 0.09350 1.00000
O6 0.34270 0.11860 0.58350 1.00000
O7 0.33490 0.00000 0.29170 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001989
