#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/02/9010265.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_9010265
loop_
_publ_author_name
'Dorsam, G.'
'Liebscher, A.'
'Franz, G.'
'Gottschalk, M.'
_publ_section_title
;
 Crystal chemistry of synthetic Ca2Al3Si3O12OH - Sr2Al3Si3O12OH
 solid solution series of zoisite and clinozoisite
 Sample: Run no. = Au31, X(Sr) = .25
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1133
_journal_page_last               1147
_journal_paper_doi               10.2138/am.2007.2353
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al3 Ca1.5 H O13 Si3 Sr0.5'
_chemical_name_mineral           Zoisite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.2278
_cell_length_b                   5.5576
_cell_length_c                   10.0893
_cell_formula_units_Z            4
_cell_volume                     909.930
_database_code_amcsd             0004386
_exptl_crystal_density_diffrn    3.490
_cod_original_formula_sum        '(Sr.5 Ca1.5) Al3 Si3 O13 H'
_cod_database_code               9010265
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SrA1 0.36610 0.25000 0.43600 0.06000
CaA1 0.36610 0.25000 0.43600 0.94000
SrA2 0.45510 0.25000 0.11180 0.44000
CaA2 0.45510 0.25000 0.11180 0.56000
Al1 0.24930 0.99700 0.18400 1.00000
Al2 0.10700 0.75000 0.29400 1.00000
Si1 0.08200 0.25000 0.09700 1.00000
Si2 0.41400 0.75000 0.27900 1.00000
Si3 0.15800 0.25000 0.43000 1.00000
O1 0.13000 0.00500 0.14500 1.00000
O2 0.10500 0.01900 0.42400 1.00000
O3 0.36000 0.98900 0.24100 1.00000
O4 0.22300 0.75000 0.30200 1.00000
O5 0.23000 0.25000 0.31700 1.00000
O6 0.27300 0.75000 0.06600 1.00000
O7 0.99400 0.25000 0.16100 1.00000
O8 0.00400 0.75000 0.29400 1.00000
O9 0.41900 0.75000 0.44500 1.00000
O10 0.26400 0.25000 0.07700 1.00000
H 0.26000 0.25000 0.95000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004386
