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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011656.cif $
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#
# 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_9011656
loop_
_publ_author_name
'McMahon, M. I.'
'Nelmes, R. J.'
_publ_section_title
;
 New high-pressure phase of Si
 Locality: synthetic
 Sample: structure exists between 13 GPa to 18 GPa
 Note: intermediate structure between those of Si II and Si V
;
_journal_name_full               'Physical Review B'
_journal_page_first              8337
_journal_page_last               8340
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.737
_cell_length_b                   4.502
_cell_length_c                   2.550
_cell_volume                     54.381
_exptl_crystal_density_diffrn    3.430
_cod_database_code               9011656
_amcsd_database_code             AMCSD#0011692
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-x,-y,-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
Si 0.00000 0.25000 0.19300