#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/70/9017047.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_9017047
loop_
_publ_author_name
'Dobrzhinetskaya, L. F.'
'Wirth, R.'
'Yang, J.'
'Green, H. W.'
'Hutcheon, I. D.'
'Weber, P. K.'
'Grew, E. S.'
_publ_section_title
;
 Qingsongite, natural cubic boron nitride: The first boron mineral
 from the Earth's mantle
;
_journal_name_full               'American Mineralogist'
_journal_page_first              764
_journal_page_last               772
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'deposit 31, Luobusa ophiolite, Yarlung Zangbu suture, southern Tibet'
_chemical_formula_sum            'B1.1 N0.9'
_chemical_name_mineral           Qingsongite
_space_group_IT_number           216
_space_group_name_Hall           'F -4 2 3'
_space_group_name_H-M_alt        'F -4 3 m'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.61
_cell_length_b                   3.61
_cell_length_c                   3.61
_cell_volume                     47.046
_database_code_amcsd             0020032
_exptl_crystal_density_diffrn    3.459
_cod_data_source_file            inputs/fixed/downloads/05/05678.cif
_cod_data_source_block           05678
_cod_original_formula_sum        'B1.1 N.9'
_cod_database_code               9017047
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-z,x,-y
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-y,z,-x
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
-x,y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
x,-z,-y
x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
z,-y,-x
z,1/2-y,1/2-x
1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
y,-x,-z
y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
x,z,y
x,1/2+z,1/2+y
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1/2-z,y,1/2-x
1/2-z,1/2+y,-x
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1/2-y,1/2+x,-z
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1/2-x,-z,1/2+y
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-z,-y,x
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1/2-z,-y,1/2+x
1/2-z,1/2-y,x
-y,-x,z
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1/2-y,-x,1/2+z
1/2-y,1/2-x,z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B 0.00000 0.00000 0.00000 1.00000
N 0.25000 0.25000 0.25000 0.90000
B 0.25000 0.25000 0.25000 0.10000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020032
