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#$Date: 2025-08-18 17:02:58 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/11/1521181.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_1521181
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_formula_sum            'Cs Mn O4'
_chemical_name_systematic        'Cs (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                   10.063
_cell_length_b                   5.8012
_cell_length_c                   7.9435
_cell_volume                     463.721
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoppe_ZAACAB_1999_785.cif
_cod_data_source_block           Cs1Mn1O4
_cod_original_cell_volume        463.7215
_cod_original_formula_sum        'Cs1 Mn1 O4'
_cod_database_code               1521181
loop_
_symmetry_equiv_pos_as_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
Mn1 Mn+7 0.4502 0.25 0.2044 1 0.0
O1 O-2 0.3505 0.25 0.0468 1 0.0
Cs1 Cs+1 0.3102 0.25 0.6534 1 0.0
O3 O-2 0.4211 0.0251 0.3163 1 0.0
O2 O-2 0.603 0.25 0.1482 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045788
