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#$Date: 2011-06-11 09:04:15 +0300 (Sat, 11 Jun 2011) $
#$Revision: 20519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9013091.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_9013091
loop_
_publ_author_name
'Ishmaev, S. N.'
'Sadikov, I. P.'
'Chernyshev, A. A.'
'Vindryevsky, B. A.'
'Sukhoparov, V. A.'
'Telepnev, A. S.'
'Kobelyev, G. V.'
_publ_section_title
;
 Neutron structural investigations of solid para-hydrogen at pressures
 up to 24 kbar
 Locality: synthetic
 Sample: at P = 1.69 GPa & T = 16.4 K
 Note: known as para-hydrogen
;
_journal_name_full
'Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki'
_journal_page_first              394
_journal_page_last               403
_journal_volume                  84
_journal_year                    1983
_chemical_formula_sum            H2
_chemical_name_mineral           Hydrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.929
_cell_length_b                   2.929
_cell_length_c                   4.780
_cell_volume                     35.514
_diffrn_ambient_pressure         1.69e+06
_diffrn_ambient_temperature      16.4
_exptl_crystal_density_diffrn    0.189
_cod_database_code               9013091
_amcsd_database_code             AMCSD#0014026
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H 0.33333 0.66667 0.12300