#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015380.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_9015380
loop_
_publ_author_name
'Zachariasen, W.'
_publ_section_title
;
 The Crystal Structure of Potassium Metaborate K3 (B3 O6)
 _cod_database_code 1010521
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              919
_journal_page_last               922
_journal_paper_doi               10.1063/1.1749962
_journal_volume                  5
_journal_year                    1937
_chemical_formula_sum            'B K O2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                110.6
_cell_angle_beta                 110.6
_cell_angle_gamma                110.6
_cell_length_a                   7.76
_cell_length_b                   7.76
_cell_length_c                   7.76
_cell_formula_units_Z            6
_cell_volume                     343.866
_database_code_amcsd             0017432
_exptl_crystal_density_diffrn    2.373
_cod_duplicate_entry             1010521
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'K B O2'
_cod_database_code               9015380
_amcsd_formula_title             'B3 K3 O6'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2-z,1/2-y
-z,-x,-y
1/2+y,1/2+x,1/2+z
y,z,x
1/2-z,1/2-y,1/2-x
-x,-y,-z
1/2+x,1/2+z,1/2+y
z,x,y
1/2-y,1/2-x,1/2-z
-y,-z,-x
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.68900 -0.18900 0.25000
B1 0.36100 0.13900 0.25000
O1 0.46500 0.03500 0.25000
O2 0.14600 0.35400 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017432
