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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001799.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_9001799
loop_
_publ_author_name
'Comodi, P.'
'Zanazzi, P. F.'
_publ_section_title
;
 The pressure behavior of clinozoisite and zoisite: An X-ray
 diffraction study
 Sample: at room pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              61
_journal_page_last               68
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2.79 Ca2 Fe0.21 H O13 Si3'
_chemical_name_mineral           Clinozoisite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.4
_cell_angle_gamma                90
_cell_length_a                   8.870
_cell_length_b                   5.592
_cell_length_c                   10.144
_cell_formula_units_Z            2
_cell_volume                     454.516
_database_code_amcsd             0001855
_exptl_crystal_density_diffrn    3.364
_cod_original_formula_sum        'Ca2 Si3 Al2.79 Fe.21 O13 H'
_cod_database_code               9001799
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-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
Ca1 0.76060 0.75000 0.15460 1.00000 ?
Ca2 0.60680 0.75000 0.42350 1.00000 ?
Si1 0.33850 0.75000 0.04810 1.00000 ?
Si2 0.67910 0.25000 0.27520 1.00000 ?
Si3 0.18260 0.75000 0.31640 1.00000 ?
Al1 0.00000 0.00000 0.00000 1.00000 ?
Al2 0.00000 0.00000 0.50000 1.00000 ?
Al3 0.28930 0.25000 0.22390 0.79000 ?
Fe3 0.28930 0.25000 0.22390 0.21000 ?
O1 0.23440 0.99640 0.04460 1.00000 ?
O2 0.30110 0.98520 0.35220 1.00000 ?
O3 0.78930 0.01290 0.34540 1.00000 ?
O4 0.05430 0.25000 0.13160 1.00000 ?
O5 0.03960 0.75000 0.14320 1.00000 ?
O6 0.06100 0.75000 0.40150 1.00000 ?
O7 0.51670 0.75000 0.17820 1.00000 ?
O8 0.51220 0.25000 0.29760 1.00000 ?
O9 0.63840 0.25000 0.10330 1.00000 ?
O10 0.07700 0.25000 0.42460 1.00000 ?
H 0.05300 0.25000 0.35100 1.00000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001855
