#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310734.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_2310734
loop_
_publ_author_name
'Bode, H.'
_publ_section_title
;
 Ueber die Kristallstrukturen der Hexafluorozirkonate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              637
_journal_page_last               637
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            Zr
_chemical_name_systematic        '(N H4)2 (Zr F6)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.5
_cell_length_b                   11.68
_cell_length_c                   7.74
_cell_volume                     1220.443
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bode_ACCRA9_1954_1998.cif
_cod_data_source_block           Zr1
_cod_original_formula_sum        Zr1
_cod_database_code               2310734
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-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
Zr1 Zr+4 0 0 0 1 0.0
Zr3 Zr+4 0 0.25 0.5 1 0.0
Zr2 Zr+4 0 0.5 0 1 0.0
