#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/11/9011109.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_9011109
loop_
_publ_author_name
'Geist, D.'
'Kloss, R.'
'Follner, H.'
_publ_section_title
;
 Verfeinerung des beta-rhomboedrischen bors
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1800
_journal_page_last               1802
_journal_paper_doi               10.1107/S0567740870004910
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            B35
_chemical_name_mineral           Boron
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                65.12
_cell_angle_beta                 65.12
_cell_angle_gamma                65.12
_cell_length_a                   10.17
_cell_length_b                   10.17
_cell_length_c                   10.17
_cell_formula_units_Z            3
_cell_volume                     826.857
_database_code_amcsd             0009380
_exptl_crystal_density_diffrn    2.280
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011109
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-z,-y
-z,-x,-y
y,x,z
y,z,x
-z,-y,-x
-x,-y,-z
x,z,y
z,x,y
-y,-x,-z
-y,-z,-x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
B1 0.00250 0.00250 0.16800 0.00735
B2 0.10080 0.10080 0.83740 0.00988
B3 0.99330 0.99330 0.66980 0.00545
B4 0.10320 0.10320 0.49210 0.00773
B5 0.17770 0.34730 0.00330 0.01077
B6 0.16730 0.55210 0.89210 0.00735
B7 0.19830 0.19830 0.68740 0.00697
B8 0.37650 0.68260 0.20240 0.00925
B9 0.36220 0.58110 0.09760 0.00684
B10 0.19910 0.19910 0.50610 0.01216
B11 0.38730 0.38730 0.56900 0.03217
B12 0.48950 0.48950 0.21780 0.00760
B13 0.38430 0.38430 0.21310 0.00697
B14 0.38480 0.38480 0.38480 0.00773
B15 0.50000 0.50000 0.50000 0.00861
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009380
