#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:33:07 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/08/1540825.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_1540825
loop_
_publ_author_name
'Voigt, S.'
'Werthmann, R.'
'Hoppe, R.'
_publ_section_title
;
 Neue Vertreter des K2 Li14 (Pb3 O14) - Typs Cs2 Li14 (Tb3 O14) und K2
 Li14 (Zr3 O14)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              65
_journal_page_last               78
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'K2 Li14 O14 Zr3'
_chemical_name_systematic        'K2 Li14 (Zr3 O14)'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.446
_cell_length_b                   7.764
_cell_length_c                   7.243
_cell_volume                     699.896
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Voigt_ZAACAB_1989_379.cif
_cod_data_source_block           K2Li14O14Zr3
_cod_original_cell_volume        699.8965
_cod_database_code               1540825
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
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
Zr1 Zr+4 0.2719 0 0 1 0.0
Li1 Li+1 0 0.1552 0.5 1 0.0
Zr2 Zr+4 0 0 0 1 0.0
O1 O-2 0.2585 0 0.7151 1 0.0
K1 K+1 0.5 0 0.2622 1 0.0
O4 O-2 0.3697 0.2104 0 1 0.0
Li2 Li+1 0.2263 0.3683 0 1 0.0
Li3 Li+1 0.136 0.1574 0.2735 1 0.0
O2 O-2 0 0 0.2867 1 0.0
O3 O-2 0.1238 0.1778 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047741
