#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/86/1538672.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_1538672
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           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.903
_cell_length_b                   3.942
_cell_length_c                   7.722
_cell_volume                     168.462
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mach_ZAACAB_1987_1861.cif
_cod_data_source_block           D1K1O1
_cod_original_cell_volume        168.4621
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'D1 K1 O1'
_cod_database_code               1538672
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
K1 K+1 0.764 0.257 0.059 1 0.0
D1 D+1 0.306 0.139 0.237 1 0.0
O1 O-2 0.445 0.264 0.211 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 3084427
