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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/9/00/07/9000790.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_9000790
loop_
_publ_author_name
'Spear, F. S.'
'Hazen, R. M.'
'Rumble, D.'
_publ_section_title
;
 Wonesite: A new rock-forming silicate from the Post Pond Volcanics, Vermont
;
_journal_name_full               'American Mineralogist'
_journal_page_first              100
_journal_page_last               105
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al0.8 Fe0.42 Mg2.58 Na0.55 O12 Si3.2'
_chemical_name_mineral           Wonesite
_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                 103.18
_cell_angle_gamma                90
_cell_length_a                   5.312
_cell_length_b                   9.163
_cell_length_c                   9.825
_cell_formula_units_Z            2
_cell_volume                     465.624
_database_code_amcsd             0000804
_exptl_crystal_density_diffrn    2.869
_cod_original_formula_sum        'Na.55 (Mg2.58 Fe.42) (Si3.2 Al.8) O12'
_cod_database_code               9000790
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
Na 0.00000 0.00000 0.00000 0.55000 0.03800
Mg1 0.00000 0.50000 0.50000 0.86000 0.01013
Fe1 0.00000 0.50000 0.50000 0.14000 0.01013
Mg2 0.00000 0.83000 0.50000 0.86000 0.01013
Fe2 0.00000 0.83000 0.50000 0.14000 0.01013
Si 0.58000 0.17000 0.22500 0.80000 0.01013
Al 0.58000 0.17000 0.22500 0.20000 0.01013
O1 0.82000 0.23000 0.15800 1.00000 0.02153
O2 0.52000 0.00000 0.15800 1.00000 0.02153
O3 0.63000 0.17000 0.39300 1.00000 0.01520
O4 0.13000 0.00000 0.39300 1.00000 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000804