#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107018.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_2107018
loop_
_publ_author_name
'Kojic-Prodic, B.'
'Gabela, F.'
'Ruzic Toros, Z.'
'Sljukic, M.'
_publ_section_title
;
 Structure of Aquatetrafluorozirconium(IV)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1963
_journal_page_last               1965
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'F4 H2 O Zr'
_chemical_name_systematic        'Zr F4 (H2 O)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.724
_cell_length_b                   7.724
_cell_length_c                   11.678
_cell_volume                     696.712
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kojic-Prodic_ACBCAR_1981_1576.cif
_cod_data_source_block           H2F4O1Zr1
_cod_original_cell_volume        696.7115
_cod_original_formula_sum        'H2 F4 O1 Zr1'
_cod_database_code               2107018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
F2 F-1 0.22519 0.42639 0.24711 1 0.0
F1 F-1 0.29533 0.1175 0.22149 1 0.0
O1 O-2 0 0 0.15466 1 0.0
Zr1 Zr+4 0.108 0.25 0.125 1 0.0
