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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011653.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_9011653
loop_
_publ_author_name
'Keller, R.'
'Holzapfel, W. B.'
'Schulz, H.'
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 7.70 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.810
_cell_length_b                   3.810
_cell_length_c                   5.110
_cell_formula_units_Z            3
_cell_volume                     64.239
_database_code_amcsd             0015166
_diffrn_ambient_pressure         7.7e+06
_exptl_crystal_density_diffrn    6.123
_cod_database_code               9011653
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Se 0.24860 0.00000 0.33333
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015166
