#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/25/9002568.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_9002568
loop_
_publ_author_name
'Bindi, L.'
'Bonazzi, P.'
'Rothlisberger, F.'
_publ_section_title
;
 Hardystonite from Franklin Furnace: A natural modulated melilite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              747
_journal_page_last               751
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum
'Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85'
_chemical_name_mineral           Hardystonite
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.800
_cell_length_b                   7.800
_cell_length_c                   5.000
_cell_formula_units_Z            2
_cell_volume                     304.200
_database_code_amcsd             0002657
_exptl_crystal_density_diffrn    3.356
_cod_original_formula_sum
'(Ca1.86 Na.14) Zn.85 Al.07 Mg.03 Mn.04 Fe.02 Si2 O7'
_cod_database_code               9002568
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,-x,-z
1/2-x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,x,-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
CaX 0.33260 0.16740 0.50590 0.93000
NaX 0.33260 0.16740 0.50590 0.07000
Zn1 0.00000 0.00000 0.00000 0.85000
Al1 0.00000 0.00000 0.00000 0.07000
Mg1 0.00000 0.00000 0.00000 0.03000
Mn1 0.00000 0.00000 0.00000 0.04000
Fe1 0.00000 0.00000 0.00000 0.02000
Si2 0.14000 0.36000 0.93860 1.00000
O1 0.50000 0.00000 0.17770 1.00000
O2 0.14100 0.35900 0.25690 1.00000
O3 0.08200 0.18720 0.78670 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002657
