#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/23/9012372.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012372
loop_
_publ_author_name
'Zouari, S.'
'Ranno, L.'
'Cheikh-Rouhou A'
'Isnard, O.'
'Pernet, M.'
'Wolfers, P.'
'Strobel, P.'
_publ_section_title
;
 New model for the magnetic structure of the marokite-type oxide CaMn2O4
 Sample: T = 280 K
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              5
_journal_page_last               11
_journal_paper_doi               10.1016/S0925-8388(02)01302-6
_journal_volume                  353
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Mn2 O4'
_chemical_name_mineral           Marokite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.1492
_cell_length_b                   9.98
_cell_length_c                   9.66
_cell_formula_units_Z            4
_cell_volume                     303.604
_database_code_amcsd             0012829
_diffrn_ambient_temperature      280
_exptl_crystal_density_diffrn    4.681
_cod_database_code               9012372
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,1/2+y,z
x,1/2-y,-z
x,y,1/2-z
-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.68500 0.15000 0.75000 0.01393
Mn 0.20800 0.11300 0.06700 0.01178
O1 0.59900 0.25000 0.00000 0.01051
O2 0.19000 0.18600 0.25000 0.01469
O3 0.79500 0.97370 0.10850 0.00899
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012829
