#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009215.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_9009215
loop_
_publ_author_name
'Kamb, B.'
_publ_section_title
;
 Structure of ice VI
;
_journal_name_full               Science
_journal_page_first              205
_journal_page_last               209
_journal_volume                  150
_journal_year                    1965
_chemical_formula_sum            'H2 O'
_chemical_name_mineral           Ice
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.27
_cell_length_b                   6.27
_cell_length_c                   5.79
_cell_volume                     227.622
_exptl_crystal_density_diffrn    1.577
_[local]_cod_cif_authors_sg_H-M  'P 42/n m c'
_[local]_cod_chemical_formula_sum_orig '(O H2)'
_cod_database_code               9009215
_amcsd_database_code             AMCSD#0011551
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,1/2+z
y,x,-z
y,-x,-z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2-x,1/2+y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2+x,1/2-y,1/2-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Wat1 0.00000 0.27600 0.38200
Wat2 0.00000 0.00000 0.00000
Wat3 0.50000 0.50000 0.50000