#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014426.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_9014426
loop_
_publ_author_name
'Eddine, M.'
'Bertaut, E.'
'Maunaye, M.'
_publ_section_title
;
 Structure cristallographique de Mn2 N0.86
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2696
_journal_page_last               2698
_journal_paper_doi               10.1107/S0567740877009261
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Mn N0.43'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8551
_cell_length_b                   4.8551
_cell_length_c                   4.5326
_cell_formula_units_Z            6
_cell_volume                     92.528
_database_code_amcsd             0015963
_exptl_crystal_density_diffrn    6.564
_cod_duplicate_entry             1008015
_cod_original_formula_sum        'Mn N.43'
_cod_database_code               9014426
_amcsd_formula_title             'Mn2 N0.86'
loop_
_space_group_symop_operation_xyz
x,y,z
x,x-y,1/2-z
x-y,x,1/2+z
y,x,-z
-y,x-y,z
-x+y,y,1/2-z
-x,-y,1/2+z
-x,-x+y,-z
-x+y,-x,z
-y,-x,1/2-z
y,-x+y,1/2+z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 0.33333 0.00000 0.00000 1.00000
N1 0.00000 0.00000 0.25000 0.43000
N2 0.33333 0.66667 0.25000 0.74000
N3 0.33333 0.66667 0.75000 0.12000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015963
