#------------------------------------------------------------------------------
#$Date: 2015-07-13 03:11:45 +0200 (lun 13 de jul de 2015) $
#$Revision: 149114 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310402.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310402
loop_
_publ_author_name
'Herak, R.M.'
'Malcic, S.S.'
'Manojlovic, L.M.'
_publ_section_title
;
 The Crystal Structure of Sodium Tridecafluorodizirconate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              520
_journal_page_last               522
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'F13 Na5 Zr2'
_chemical_name_systematic        'Na5 Zr2 F13'
_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                 97.7
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.62
_cell_length_b                   5.49
_cell_length_c                   8.44
_cell_volume                     533.565
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Herak_ACCRA9_1965_936.cif
_cod_data_source_block           F13Na5Zr2
_cod_original_cell_volume        533.5648
_cod_database_code               2310402
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Na2 Na+1 -0.163 0 0.075 1 0.0
Na1 Na+1 0 0 0.5 1 0.0
F4 F-1 0.439 0.25 0.252 1 0.0
Na3 Na+1 0.277 0 0.346 1 0.0
F2 F-1 0.18 0.25 0.148 1 0.0
F1 F-1 0 0 0 1 0.0
F3 F-1 0.131 0.25 0.424 1 0.0
Zr1 Zr+4 0.0727 0 0.2426 1 0.0
