#------------------------------------------------------------------------------
#$Date: 2015-07-13 06:59:04 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149897 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106433.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106433
loop_
_publ_author_name
'Schneider, W.'
'Carpenter, G.B.'
_publ_section_title
;
 Bond lengths and thermal parameters of potassium metaborate, K3 B3 O6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1189
_journal_page_last               1191
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'B3 K3 O6'
_chemical_name_systematic        'K3 (B3 O6)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.76
_cell_length_b                   12.76
_cell_length_c                   7.34
_cell_volume                     1034.971
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Schneider_ACBCAR_1970_1777.cif
_cod_data_source_block           B3K3O6
_cod_database_code               2106433
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1 B+3 0.8889 0 0.25 1 0.0
K1 K+1 0.5613 0 0.25 1 0.0
O2 O-2 0.1084 0 0.25 1 0.0
O1 O-2 0.7843 0 0.25 1 0.0
