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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/1/53/86/1538674.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_1538674
loop_
_publ_author_name
'Mach, B.'
'Jacobs, H.'
_publ_section_title
;
 Bindungsverhaeltnisse in kristallinen Phasen von Kaliumdeuterohydoxid, K
 O D
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              187
_journal_page_last               195
_journal_volume                  553
_journal_year                    1987
_chemical_formula_sum            'D K O'
_chemical_name_systematic        'K (O D)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.965
_cell_length_b                   3.999
_cell_length_c                   5.728
_cell_volume                     88.037
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mach_ZAACAB_1987_1863.cif
_cod_data_source_block           D1K1O1
_cod_original_cell_volume        88.03661
_cod_original_formula_sum        'D1 K1 O1'
_cod_database_code               1538674
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
K1 K+1 0.185 0.25 0.291 1 0.0
D1 D+1 0.441 0.18 0.916 0.5 0.0
O1 O-2 0.332 0.25 0.754 1 0.0
