#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/63/1536342.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_1536342
loop_
_publ_author_name
'Delmas, C.'
'Fouassier, C.'
_publ_section_title
;
 Les phases Kx Mn O2, (x< 1)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              184
_journal_page_last               192
_journal_volume                  420
_journal_year                    1976
_chemical_formula_sum            'K0.51 Mn0.94 O2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   2.831
_cell_length_b                   5.175
_cell_length_c                   10.66
_cell_volume                     156.174
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Delmas_ZAACAB_1976_70.cif
_cod_data_source_block           K0.51Mn0.94O2
_cod_original_cell_volume        156.1735
_cod_database_code               1536342
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
O1 O-2 0 0.3333 0.082 1 0.0
K1 K+1 0 0 0.75 0.255 0.0
Mn1 Mn+3 0 0 0 0.94 0.0
K2 K+1 0 0.3333 0.75 0.255 0.0
