#------------------------------------------------------------------------------
#$Date: 2023-05-28 16:36:49 +0300 (Sun, 28 May 2023) $
#$Revision: 284046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001924.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_9001924
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: 67-3701, 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
;Al0.256 Ca1.856 F0.464 Fe1.133 H1.436 K0.09 Mg3.879 Mn0.02 Na0.286 O23.536
 Si7.776 Ti0.02
;
_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                 104.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.866
_cell_length_b                   18.098
_cell_length_c                   5.284
_cell_volume                     912.308
_database_code_amcsd             0001985
_exptl_crystal_density_diffrn    3.117
_cod_original_formula_sum
;Fe1.133 Mn.02 Mg3.879 Ti.02 Al.256 Ca1.856 Na.286 Si7.776 K.09 H1.436 O23.536
 F.464
;
_cod_database_code               9001924
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 0.08830 0.50000 0.19700 Fe 0
Mn1 0.00000 0.08830 0.50000 0.00300 Mn 0
Mg1 0.00000 0.08830 0.50000 0.80000 Mg 0
Fe2 0.00000 0.17730 0.00000 0.24600 Fe 0
Mn2 0.00000 0.17730 0.00000 0.00600 Mn 0
Mg2 0.00000 0.17730 0.00000 0.72200 Mg 0
Ti2 0.00000 0.17730 0.00000 0.01000 Ti 0
Al2 0.00000 0.17730 0.00000 0.01600 Al 0
Fe3 0.00000 0.00000 0.00000 0.18300 Fe 0
Mg3 0.00000 0.00000 0.00000 0.81700 Mg 0
Fe4 0.00000 0.27780 0.50000 0.03200 Fe 0
Mn4 0.00000 0.27780 0.50000 0.00100 Mn 0
Mg4 0.00000 0.27780 0.50000 0.00900 Mg 0
Ca4 0.00000 0.27780 0.50000 0.92800 Ca 0
Na4 0.00000 0.27780 0.50000 0.03000 Na 0
Si1 0.28020 0.08410 0.29660 0.94400 Si 0
Al1 0.28020 0.08410 0.29660 0.05600 Al 0
Si2 0.28890 0.17100 0.80450 1.00000 Si 0
NaA(m) 0.04200 0.50000 0.07500 0.11300 Na 0
KA(m) 0.04200 0.50000 0.07500 0.04500 K 0
H 0.15100 0.00000 0.76300 0.71800 H 0
O1 0.11170 0.08650 0.21690 1.00000 O 0
O2 0.11940 0.17140 0.72420 1.00000 O 0
O3 0.10790 0.00000 0.71410 0.76800 O 0
F3 0.10790 0.00000 0.71410 0.23200 F 0
O4 0.36590 0.24780 0.79160 1.00000 O 0
O5 0.34650 0.13480 0.09910 1.00000 O 0
O6 0.34400 0.11840 0.59030 1.00000 O 0
O7 0.33650 0.00000 0.29260 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 0001985
