#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001236.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_9001236
loop_
_publ_author_name
'Post, J. E.'
'Bish, D. L.'
_publ_section_title
;
 Rietveld refinement of the coronadite structure
 sample from Broken Hill
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               917
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mn2 O4 Pb0.35'
_chemical_name_mineral           Coronadite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.20
_cell_angle_gamma                90
_cell_length_a                   9.913
_cell_length_b                   2.8652
_cell_length_c                   9.843
_cell_formula_units_Z            4
_cell_volume                     279.566
_database_code_amcsd             0001263
_exptl_crystal_density_diffrn    5.854
_cod_original_formula_sum        'Mn2 Pb.35 O4'
_cod_database_code               9001236
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 0.83700 0.00000 0.32700 1.00000
Mn2 0.33800 0.00000 0.13800 1.00000
Pb 0.00000 0.21400 0.00000 0.35000
O1 0.63900 0.00000 0.31100 1.00000
O2 0.63600 0.00000 0.04200 1.00000
O3 0.28600 0.00000 0.33600 1.00000
O4 0.04500 0.00000 0.32300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001263
