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#$Date: 2025-08-18 17:33:07 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/02/1540260.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_1540260
loop_
_publ_author_name
'Kissel, J.'
'Hoppe, R.'
_publ_section_title
;
 Das erste "Lithovanadate": K2 (Li V O4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              109
_journal_page_last               118
_journal_volume                  570
_journal_year                    1989
_chemical_formula_sum            'K2 Li O4 V'
_chemical_name_systematic        'K2 (Li V O4)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.23
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.359
_cell_length_b                   7.747
_cell_length_c                   7.529
_cell_volume                     487.553
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kissel_ZAACAB_1989_1180.cif
_cod_data_source_block           K2Li1O4V1
_cod_original_cell_volume        487.5528
_cod_original_formula_sum        'K2 Li1 O4 V1'
_cod_database_code               1540260
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
O3 O-2 0.0924 0 0.1598 1 0.0
O1 O-2 0.2781 0 0.4711 1 0.0
O2 O-2 0.3853 0.8213 0.1717 1 0.0
Li1 Li+1 0 0.1751 0 1 0.0
K2 K+1 0 0.2178 0.5 1 0.0
V1 V+5 0.7146 0 0.7557 1 0.0
K1 K+1 0.2966 0 0.8218 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047524
