#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012842.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_9012842
loop_
_publ_author_name
'Nogues, M.'
'Poix, P.'
_publ_section_title
;
 Effet Jahn-Teller cooperatif dans le systeme ZnMn2O4-Zn2SnO4
;
_journal_name_full               'Annales de Chimie'
_journal_page_first              301
_journal_page_last               314
_journal_volume                  1972
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn2 O4 Zn'
_chemical_name_mineral           Hetaerolite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.722
_cell_length_b                   5.722
_cell_length_c                   9.236
_cell_volume                     302.398
_database_code_amcsd             0012015
_exptl_crystal_density_diffrn    5.255
_cod_original_cell_volume        302.399
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Zn Mn2 O4'
_cod_database_code               9012842
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,1/2-x,1/4+z
1/2-y,-x,3/4+z
1/2+y,1/2+x,1/2-z
+y,+x,-z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,1/2-y,1/2+z
+x,-y,+z
1/2-x,y,3/4-z
-x,1/2+y,1/4-z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
1/2+y,x,3/4+z
+y,1/2+x,1/4+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,1/2-y,1/4-z
1/2+x,-y,3/4-z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn 0.00000 0.00000 0.00000 0.00823
Mn 0.00000 0.25000 0.62500 0.00823
O 0.00000 0.22700 0.38600 0.00823
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012015