#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/11/1511196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1511196
loop_
_publ_author_name
'Miessen, M.'
'Hoppe, R.'
_publ_section_title
;
 Neue Borate der Alkalimetalle K Li2 (B O3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              7
_journal_page_last               14
_journal_paper_doi               10.1002/zaac.19855210202
_journal_volume                  521
_journal_year                    1985
_chemical_formula_sum            'B K Li2 O3'
_chemical_name_systematic        'K Li2 (B O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.971
_cell_length_b                   6.432
_cell_length_c                   6.457
_cell_volume                     331.047
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_302.cif
_cod_data_source_block           B1K1Li2O3
_cod_original_formula_sum        'B1 K1 Li2 O3'
_cod_database_code               1511196
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O1 O-2 0.5384 0.75 0.507 1 0.0
B1 B+3 0.6558 0.75 0.6638 1 0.0
K1 K+1 0.4913 0.75 0.1038 1 0.0
O2 O-2 0.7128 0.9376 0.7382 1 0.0
Li1 Li+1 0.8605 0.5416 0.9607 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040904
