#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015802.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_9015802
loop_
_publ_author_name
'Ito, T.'
'Morimoto, N.'
'Sadanaga, R.'
_publ_section_title
;
 The crystal structure of boracite
 Note: high boracite
 Note: T = 300 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              310
_journal_page_last               316
_journal_paper_doi               10.1107/S0365110X51001033
_journal_volume                  4
_journal_year                    1951
_chemical_compound_source        'Stassfurt, Germany'
_chemical_formula_sum            'B7 Cl Mg3 O13'
_chemical_name_mineral           Boracite
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.1
_cell_length_b                   12.1
_cell_length_c                   12.1
_cell_formula_units_Z            8
_cell_volume                     1771.561
_database_code_amcsd             0019540
_exptl_crystal_density_diffrn    2.940
_cod_original_formula_sum        'Mg3 B7 O13 Cl'
_cod_database_code               9015802
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,1/2-y
x,1/2-z,-y
1/2+x,-z,-y
1/2+x,1/2-z,1/2-y
z,-y,1/2-x
z,1/2-y,-x
1/2+z,-y,-x
1/2+z,1/2-y,1/2-x
y,-x,1/2-z
y,1/2-x,-z
1/2+y,-x,-z
1/2+y,1/2-x,1/2-z
x,z,1/2+y
x,1/2+z,+y
1/2+x,z,+y
1/2+x,1/2+z,1/2+y
z,y,1/2+x
z,1/2+y,+x
1/2+z,y,+x
1/2+z,1/2+y,1/2+x
y,x,1/2+z
y,1/2+x,+z
1/2+y,x,+z
1/2+y,1/2+x,1/2+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
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,1/2-y
-x,1/2+z,-y
1/2-x,z,-y
1/2-x,1/2+z,1/2-y
-z,y,1/2-x
-z,1/2+y,-x
1/2-z,y,-x
1/2-z,1/2+y,1/2-x
-y,x,1/2-z
-y,1/2+x,-z
1/2-y,x,-z
1/2-y,1/2+x,1/2-z
-x,-z,1/2+y
-x,1/2-z,+y
1/2-x,-z,+y
1/2-x,1/2-z,1/2+y
-z,-y,1/2+x
-z,1/2-y,+x
1/2-z,-y,+x
1/2-z,1/2-y,1/2+x
-y,-x,1/2+z
-y,1/2-x,+z
1/2-y,-x,+z
1/2-y,1/2-x,1/2+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
Mg 0.25000 0.25000 0.00000
B1 0.25000 0.00000 0.00000
B2 0.08500 0.08500 0.08500
O1 0.00000 0.00000 0.00000
O2 0.02100 0.09800 0.18000
Cl 0.25000 0.25000 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019540
