#------------------------------------------------------------------------------
#$Date: 2022-03-20 07:49:15 +0200 (Sun, 20 Mar 2022) $
#$Revision: 273835 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/66/1566641.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_1566641
loop_
_publ_author_name
'Kuhs, W. F.'
'Ahsbahs, H.'
'Londono, D.'
'Finney, J. L.'
_publ_section_title
;
 In-situ crystal growth and neutron four-circle diffractometry under high
 pressure
;
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              684
_journal_volume                  156-157
_journal_year                    1989
_chemical_formula_sum            'D2 O'
_chemical_formula_weight         20.03
_chemical_name_common            'ice VI'
_space_group_IT_number           137
_space_group_name_Hall           '-P 4ac 2a'
_space_group_name_H-M_alt        'P 42/n m c :2'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            10
_cell_length_a                   6.210000
_cell_length_b                   6.210000
_cell_length_c                   5.730000
_cell_volume                     220.972
_cod_data_source_file            iceVI_Kuhs1989.cif
_cod_data_source_block           iceVI_Kuhs1989
_cod_original_cell_volume        220.97
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_original_formula_sum        'D2.00 O'
_cod_database_code               1566641
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y+1/2, z'
'x+1/2, y+1/2, -z'
'-y+1/2, x, z+1/2'
'y+1/2, -x, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y, -z'
'-x+1/2, y, z'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'-y, -x, -z+1/2'
'y, x, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
O1 1.0 0.750000 0.250000 0.750000 Uani 0.039067 O
O2 1.0 0.750000 0.5294(1) 0.1288(1) Uani 0.037067 O
D1 0.5000 0.750000 0.4631(3) -0.0171(2) Uani 0.046500 D
D2 0.5000 0.750000 0.3647(3) -0.1451(3) Uani 0.047000 D
D3 0.5000 0.750000 0.6816(2) 0.1250(2) Uani 0.044500 D
D4 0.5000 0.1336(2) 0.5331(2) 0.7904(2) Uani 0.047067 D
