#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/97/1539732.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_1539732
loop_
_publ_author_name
'Fischer, D.'
'Hoppe, R.'
_publ_section_title
;
 Ein Oxomanganat(V) neuen Typs: K11 (Li (O Mn O3)4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              106
_journal_page_last               114
_journal_volume                  586
_journal_year                    1990
_chemical_formula_sum            'K11 Li Mn4 O16'
_chemical_name_systematic        'K11 (Li (Mn O4)4)'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8718
_cell_length_b                   7.8718
_cell_length_c                   17.509
_cell_volume                     1084.949
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fischer_ZAACAB_1990_1227.cif
_cod_data_source_block           K11Li1Mn4O16
_cod_original_formula_sum        'K11 Li1 Mn4 O16'
_cod_database_code               1539732
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
O3 O-2 0.8021 0.1979 0.2118 1 0.0
O2 O-2 0.647 0.647 0.4433 1 0.0
Mn1 Mn+5 0.2553 0.2553 0.8767 1 0.0
K2 K+1 0 0 0.5 1 0.0
O1 O-2 0.5339 0.7799 0.8857 1 0.0
K3 K+1 0 0 0.2903 1 0.0
K1 K+1 0 0.5 0.75 1 0.0
K4 K+1 0.1949 0.8051 0.8772 1 0.0
K5 K+1 0 0.5 0 1 0.0
Li1 Li+1 0 0 0 1 0.0
