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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/1/52/97/1529794.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_1529794
loop_
_publ_author_name
'Datt, I.D.'
'Rannev, N.V.'
'Kuznets, V.M.'
'Ozerov, R.P.'
_publ_section_title
;
 The study of the crystal structure of the crystalline hydrates of salts
 of lithium. the study of the water molecule state in the lithium chloride
 hydrate Li Cl D2 O by neutron diffraction and nuclear magnetic resonance
;
_journal_name_full               Kristallografiya
_journal_page_first              631
_journal_page_last               634
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'Cl D2 Li O'
_chemical_name_systematic        'Li Cl (D2 O)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.81
_cell_length_b                   3.81
_cell_length_c                   3.88
_cell_volume                     56.322
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Datt_KRISAJ_1971_916.cif
_cod_data_source_block           D2Cl1Li1O1
_cod_original_cell_volume        56.32247
_cod_original_formula_sum        'D2 Cl1 Li1 O1'
_cod_database_code               1529794
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O1 O-2 0.5 0.5 0.5 1 0.0
D1 D+1 0.333 0.333 0.329 0.25 0.0
Cl1 Cl-1 0 0 0 1 0.0
Li1 Li+1 0 0.5 0.5 0.5 0.0
