#------------------------------------------------------------------------------
#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
#$Revision: 287555 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008031.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008031
loop_
_publ_author_name
'West, C. D.'
_publ_section_title
;
 Crystal structures of some hydrated compounds
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              198
_journal_page_last               204
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     LiClO4*3H2O
_chemical_formula_sum            'Cl H6 Li O7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.71
_cell_length_b                   7.71
_cell_length_c                   5.42
_cell_volume                     279.022
_exptl_crystal_density_diffrn    1.910
_cod_original_formula_sum        'Li Cl O7 H6'
_cod_database_code               9008031
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Li Li 0.00000 0.00000 0.25000 .
Cl Cl 0.33333 0.66667 0.00000 .
O1 O 0.33333 0.66667 0.27800 .
O2 O 0.43900 -0.43900 -0.09200 .
Wat O 0.12500 -0.12500 0.50000 2
_database_code_amcsd 0010532
