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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223686.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_7223686
loop_
_publ_author_name
'Poll, W.'
'Mootz, D.'
'Lohmeyer, M.'
_publ_section_title
;
 Zum System Wasser-Fluorwasserstoff: Phasenverhalten und Kristallstruktur
 von 2D2O3DF, einer deuterierten Verbindung ohne protoniertes Analogon
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1359
_journal_page_last               1364
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'D3 F O'
_chemical_name_systematic        '(D2 O) (D F)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.21
_cell_length_b                   4.172
_cell_length_c                   6.195
_cell_volume                     160.501
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Poll_ZNBSEN_1989_1981.cif
_cod_data_source_block           D3F1O1
_cod_original_cell_volume        160.5008
_cod_original_formula_sum        'D3 F1 O1'
_cod_database_code               7223686
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
D1 D+1 0.396 0.454 0.262 1 0.0
O1 O-2 0.4113 0.25 0.1755 1 0.0
D2 D+1 0.307 0.25 0.053 1 0.0
F1 F-1 0.351 0.75 0.3779 1 0.0
