#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/33/9013319.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_9013319
loop_
_publ_author_name
'Antao, S. M.'
'Hassan, I.'
'Wang, J.'
'Lee, P. L.'
'Toby, B. H.'
_publ_section_title
;State-of-the-art high-resolution powder X-ray diffraction (HRPXRD)
 illustrated with Rietveld structure refinement of quartz, sodalite,
 tremolite, and meionite Locality: Gouverneur district, New York
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1501
_journal_page_last               1509
_journal_paper_doi               10.3749/canmin.46.5.1501
_journal_volume                  46
_journal_year                    2008
_chemical_formula_sum
'Al0.2 Ca1.8 F0.66 Fe0.06 K0.12 Mg4.94 Na0.38 O23.34 Si7.8'
_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                 104.7566
_cell_angle_gamma                90
_cell_length_a                   9.85145
_cell_length_b                   18.02911
_cell_length_c                   5.273416
_cell_formula_units_Z            2
_cell_volume                     905.733
_exptl_crystal_density_diffrn    3.005
_cod_original_formula_sum
'Na.38 Ca1.8 K.12 Mg4.94 Fe.06 Si7.8 Al.2 O23.34 F.66'
_cod_database_code               9013319
loop_
_symmetry_equiv_pos_as_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
Na1 0.00000 0.27779 0.50000 0.10000 0.00800
Ca 0.00000 0.27779 0.50000 0.90000 0.00800
Na2 0.00000 0.50000 0.00000 0.18000 0.14240
K 0.00000 0.50000 0.00000 0.12000 0.14240
Mg1 0.00000 0.08840 0.50000 1.00000 0.00620
Mg2 0.00000 0.17720 0.00000 0.97000 0.00800
Fe 0.00000 0.17720 0.00000 0.03000 0.00800
Mg3 0.00000 0.00000 0.00000 1.00000 0.00830
Si1 0.27914 0.08413 0.29810 0.95000 0.00480
Al1 0.27914 0.08413 0.29810 0.05000 0.00480
Si2 0.28831 0.17138 0.80430 1.00000 0.00460
O1 0.11290 0.08519 0.22190 1.00000 0.00520
O2 0.12100 0.17050 0.72780 1.00000 0.00870
O3 0.10980 0.00000 0.71580 0.67000 0.01430
F 0.10980 0.00000 0.71580 0.33000 0.01430
O4 0.36380 0.24776 0.79230 1.00000 0.00510
O5 0.34530 0.13409 0.09920 1.00000 0.00800
O6 0.34410 0.11854 0.59060 1.00000 0.00780
O7 0.33670 0.00000 0.29230 1.00000 0.01270
