#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/04/9010497.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_9010497
loop_
_publ_author_name
'Ballirano, P.'
'Andreozzi, G. B.'
'Belardi, G.'
_publ_section_title
;Crystal chemical and structural characterization of fibrous tremolite from
 Susa Valley, Italy, with comments on potential harmful effects on human
 health Locality: Condove, Susa Valley, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1349
_journal_page_last               1355
_journal_paper_doi               10.2138/am.2008.2869
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        'Condove, Susa Valley, Italy'
_chemical_formula_sum
'Al0.01 Ca1.94 Cl0.01 F0.03 Fe0.12 H1.96 K0.01 Mg4.85 Mn0.02 Na0.05 O23.96 Si8'
_chemical_name_mineral           Tremolite
_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                 104.732
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.84174
_cell_length_b                   18.05932
_cell_length_c                   5.27876
_cell_volume                     907.378
_database_code_amcsd             0004630
_exptl_crystal_density_diffrn    2.987
_cod_original_formula_sum
'(Ca1.94 K.01 Na.05) Al.01 Fe.12 Mg4.85 Mn.02 Si8 O23.96 F.03 Cl.01 H1.96'
_cod_database_code               9010497
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_U_iso_or_equiv
_atom_site_type_symbol
_atom_site_attached_hydrogens
CaM4 0.00000 0.27737 0.50000 0.97000 0.00700 Ca 0
KM4 0.00000 0.27737 0.50000 0.00500 0.00700 K 0
NaM4 0.00000 0.27737 0.50000 0.02500 0.00700 Na 0
AlM1 0.00000 0.08738 0.50000 0.00500 0.00700 Al 0
FeM1 0.00000 0.08738 0.50000 0.02500 0.00700 Fe 0
MgM1 0.00000 0.08738 0.50000 0.96000 0.00700 Mg 0
MnM1 0.00000 0.08738 0.50000 0.01000 0.00700 Mn 0
MgM2 0.00000 0.17656 0.00000 0.97000 0.00700 Mg 0
FeM2 0.00000 0.17656 0.00000 0.03000 0.00700 Fe 0
MgM3 0.00000 0.00000 0.00000 0.99000 0.00700 Mg 0
FeM3 0.00000 0.00000 0.00000 0.01000 0.00700 Fe 0
Si1 0.28106 0.08436 0.29770 1.00000 0.00500 Si 0
Si2 0.28751 0.17064 0.80410 1.00000 0.00500 Si 0
O1 0.11390 0.08679 0.21780 1.00000 0.00800 O 0
O2 0.11660 0.17198 0.72360 1.00000 0.00800 O 0
O3 0.10850 0.00000 0.71370 0.98000 0.00800 O 0
F 0.10850 0.00000 0.71370 0.01500 0.00800 F 0
Cl 0.10850 0.00000 0.71370 0.00500 0.00800 Cl 0
O4 0.36570 0.24749 0.78970 1.00000 0.00800 O 0
O5 0.34540 0.13364 0.09850 1.00000 0.00800 O 0
O6 0.34380 0.11794 0.59500 1.00000 0.00800 O 0
O7 0.33870 0.00000 0.28930 1.00000 0.00800 O 0
H 0.20600 0.00000 0.77100 0.98000 0.03000 H 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
;
2023-05-23T09:20:18+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 0004630
