#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011655.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_9011655
loop_
_publ_author_name
'Vohra, Y. K.'
'Grosshans, W.'
'Holzapfel, W. B.'
_publ_section_title
;
 High-pressure phase transformation in scandium
 Sample: at P = 33.5 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              6019
_journal_page_last               6021
_journal_paper_doi               10.1103/PhysRevB.25.6019
_journal_volume                  25
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sc
_chemical_name_common            Scandium
_chemical_name_mineral           Scandium
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.73
_cell_length_b                   4.73
_cell_length_c                   3.18
_cell_formula_units_Z            4
_cell_volume                     71.146
_database_code_amcsd             0015168
_diffrn_ambient_pressure         3.35e+07
_exptl_crystal_density_diffrn    4.197
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9011655
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,x,-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,z
1/2+x,1/2-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sc1 0.00000 0.00000 0.00000
Sc2 0.00000 0.50000 0.62500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 22392
2 AMCSD 0015168
