#------------------------------------------------------------------------------
#$Date: 2025-10-31 17:24:25 +0100 (Fri, 31 Oct 2025) $
#$Revision: 303120 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/11/1521179.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_1521179
loop_
_publ_author_name
'Hoppe, R.'
'Fischer, D.'
'Schneider, J.'
_publ_section_title
;
 Zur Kenntnis von Oxyden A (M O4): Ueber Li Mn O4, K Mn O4, Rb Mn O4, Cs
 Mn O4 sowie Rb I O4 und Cs I O4. (-Was heisst eigentlich "Die
 Kristallstruktur von..."?-)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1135
_journal_page_last               1142
_journal_volume                  625
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K Mn O4'
_chemical_name_mineral           Bahariyaite
_chemical_name_systematic        'K (Mn O4)'
_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                   9.128
_cell_length_b                   5.728
_cell_length_c                   7.436
_cell_volume                     388.793
_citation_journal_id_ASTM        ZAACAB
_database_code_amcsd             0020918
_exptl_crystal_density_diffrn    2.700
_cod_data_source_file            Hoppe_ZAACAB_1999_783.cif
_cod_data_source_block           K1Mn1O4
_cod_original_cell_volume        388.7926
_cod_original_formula_sum        'K1 Mn1 O4'
_cod_database_code               1521179
loop_
_space_group_symop_operation_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
K1 K+1 0.3183 0.25 0.6588 1 0.0
O2 O-2 0.5969 0.25 0.1023 1 0.0
Mn1 Mn+7 0.4384 0.25 0.1916 1 0.0
O1 O-2 0.3141 0.25 0.0402 1 0.0
O3 O-2 0.4199 0.0209 0.3149 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020918
2 PubChem 139045786
3 ROD 3500170
4 ROD 3500241
