#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/74/9017471.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_9017471
loop_
_publ_author_name
'Parakhonskiy, G.'
'Dubrovinskaia, N.'
'Bykova, E.'
'Wirth, R.'
'Dubrovinsky, L.'
_publ_section_title
;
 High pressure synthesis and investigation of single crystals
 of metastable boron phases
 Note: alpha-tetragonal phase
;
_journal_name_full               'High Pressure Research'
_journal_page_first              673
_journal_page_last               683
_journal_volume                  33
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            B25
_chemical_name_mineral           Boron
_space_group_IT_number           134
_space_group_name_Hall           'P 4n 2 -1n'
_space_group_name_H-M_alt        'P 42/n n m :1'
_symmetry_space_group_name_H-M   'P 42/n n m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.708
_cell_length_b                   8.708
_cell_length_c                   5.0750
_cell_formula_units_Z            2
_cell_volume                     384.834
_database_code_amcsd             0020599
_exptl_crystal_density_diffrn    2.332
_cod_data_source_file            inputs/fixed/downloads/15/15218.cif
_cod_data_source_block           15218
_cod_original_sg_symbol_H-M      'P 42/n n m'
_cod_database_code               9017471
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
y,x,z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+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
B1 0.00000 0.00000 0.50000
B2 0.12390 0.12390 0.36850
B3 0.24580 0.24580 0.58970
B4 0.31610 0.10420 0.39070
B5 0.22880 0.08270 0.08190
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020599
