#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015395.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_9015395
loop_
_publ_author_name
'Toumi, M.'
'Hlel, F.'
'Ben Chaabane, T.'
'Smiri, L.'
'Laligant, Y.'
'Emery, J.'
_publ_section_title
;
 X-ray powder structure determination of Li6 P6 O18 . 3(H2 O)
 _cod_database_code 1000489
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              689
_journal_page_last               697
_journal_volume                  45
_journal_year                    1998
_chemical_formula_sum            'H2 Li2 O7 P2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.7442
_cell_length_b                   15.7442
_cell_length_c                   12.5486
_cell_formula_units_Z            18
_cell_volume                     2693.811
_database_code_amcsd             0012632
_exptl_crystal_density_diffrn    2.106
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'P2 O7 Li2 H2'
_cod_database_code               9015395
_amcsd_formula_title             'H6 Li6 O21 P6'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1 0.47840 0.33220 0.03430
O1 0.45670 0.35990 0.14270
O2 0.70930 0.59590 -0.05080
O3 0.57340 0.42660 -0.01650
O4 0.25950 0.74050 0.93870
O5 0.23410 0.76590 0.69050
Li1 0.30800 0.00000 0.50000
Li2 0.18990 0.81010 0.58260
H1 0.17000 0.72000 0.74000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012632
_cod_duplicate_entry 1000489
