#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/85/9008581.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_9008581
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Sample is the alpha form of the monoclinic phase
;
_journal_name_full               'Crystal Structures'
_journal_page_first              7
_journal_page_last               83
_journal_volume                  1
_journal_year                    1963
_chemical_formula_sum            Se8
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.767
_cell_angle_gamma                90
_cell_length_a                   9.05
_cell_length_b                   9.07
_cell_length_c                   11.61
_cell_formula_units_Z            4
_cell_volume                     952.904
_database_code_amcsd             0011259
_exptl_crystal_density_diffrn    4.403
_cod_database_code               9008581
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Se1 0.32100 0.48600 0.23700
Se2 0.42700 0.66400 0.35700
Se3 0.31700 0.63700 0.53500
Se4 0.13400 0.82000 0.55600
Se5 -0.08100 0.68600 0.52100
Se6 -0.15600 0.73300 0.32800
Se7 -0.08400 0.52000 0.22900
Se8 0.13100 0.59700 0.13400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 122876
2 AMCSD 0011259
