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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/7/22/36/7223688.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_7223688
loop_
_publ_author_name
'Poll, W.'
'Lohmeyer, M.'
'Mootz, D.'
_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            'D4 F2 O'
_chemical_name_systematic        'D2 O (D F)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.471
_cell_length_b                   6.009
_cell_length_c                   11.37
_cell_volume                     235.479
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Poll_ZNBSEN_1989_1983.cif
_cod_data_source_block           D4F2O1
_cod_original_cell_volume        235.4786
_cod_original_formula_sum        'D4 F2 O1'
_cod_database_code               7223688
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
D1 D+1 0.047 0.339 0.392 1 0.0
D2 D+1 0.317 0.309 0.073 1 0.0
O1 O-2 0.46235 0.33776 0.13028 1 0.0
D4 D+1 0.35 0.397 0.189 1 0.0
F2 F-1 0.1956 0.49435 0.30473 1 0.0
D3 D+1 0.579 0.208 0.154 1 0.0
F1 F-1 -0.02885 0.25157 0.44611 1 0.0
