#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/13/9001302.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_9001302
loop_
_publ_author_name
'Ross, C. R.'
'Rubie, D. C.'
'Paris, E.'
_publ_section_title
;
 Rietveld refinement of the high-pressure polymorph of Mn3O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1249
_journal_page_last               1252
_journal_volume                  75
_journal_year                    1990
_chemical_formula_sum            'Mn3 O4'
_chemical_name_mineral           Mn3O4
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2b 2a'
_symmetry_space_group_name_H-M   'P m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.5564
_cell_length_b                   9.7996
_cell_length_c                   3.0240
_cell_formula_units_Z            4
_cell_volume                     283.194
_database_code_amcsd             0001332
_exptl_crystal_density_diffrn    5.367
_cod_database_code               9001302
_amcsd_formula_title             Mn3O4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
x,1/2+y,-z
-x,1/2-y,z
1/2-x,y,z
1/2+x,-y,-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
Mn2+ 0.75000 0.14610 0.68450 0.00697
Mn3+ 0.06960 0.11470 0.20340 0.00317
O1 0.00000 0.25000 0.62040 0.00228
O2 0.25000 0.19990 0.18990 0.00228
O3 0.11120 0.96940 0.79560 0.00228
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001332
