#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103772.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8103772
loop_
_publ_author_name
'Redhammer, G.J.'
'Roth, G.'
_publ_section_title
;
 Structural variations in the aegirine solid-solution series (Na, Li) Fe
 Si2 O6 at 298 K and 80 K
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              63
_journal_page_last               72
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Fe Li0.962 Na0.038 O6 Si2'
_chemical_name_systematic        '(Na0.038 Li0.962) Fe (Si2 O6)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.045
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6583
_cell_length_b                   8.6695
_cell_length_c                   5.2905
_cell_volume                     416.153
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Redhammer_ZEKRDZ_2002_1080.cif
_cod_data_source_block           Fe1Li0.962Na0.038O6Si2
_cod_original_formula_sum        'Fe1 Li0.962 Na0.038 O6 Si2'
_cod_database_code               8103772
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.1162 0.0846 0.1493 1 0.0
Fe1 Fe+3 0 0.8984 0.25 1 0.0
O3 O-2 0.3556 0.9999 0.0526 1 0.0
Li1 Li+1 0 0.2682 0.25 0.962 0.0
Na1 Na+1 0 0.2682 0.25 0.038 0.0
Si1 Si+4 0.2962 0.0894 0.2645 1 0.0
O2 O-2 0.366 0.258 0.3249 1 0.0
