#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000205.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_9000205
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 Manganostibite: A novel cubic close-packed structure type
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1489
_journal_page_last               1499
_journal_volume                  55
_journal_year                    1970
_chemical_formula_sum            'As Mn7 O12 Sb'
_chemical_name_mineral           Manganostibite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2c'
_symmetry_space_group_name_H-M   'I b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.727
_cell_length_b                   18.847
_cell_length_c                   6.062
_cell_formula_units_Z            4
_cell_volume                     997.064
_database_code_amcsd             0000210
_exptl_crystal_density_diffrn    5.151
_cod_original_formula_sum        'Sb As Mn7 O12'
_cod_database_code               9000205
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,y,1/2-z
1/2+x,1/2+y,-z
-x,-y,1/2+z
1/2-x,1/2-y,+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,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-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_U_iso_or_equiv
Sb 0.25000 0.25000 0.25000 0.00405
As 0.36780 0.00000 0.75000 0.00633
Mn1 0.38170 0.17460 0.75000 0.00494
Mn2 0.00000 0.00000 0.00000 0.00583
Mn3 0.00000 0.15750 0.00000 0.00633
Mn4 0.27940 0.08210 0.25000 0.00836
O1 0.02280 0.07550 0.25000 0.00722
O2 0.02360 0.24000 0.25000 0.00595
O3 -0.02650 0.42800 0.25000 0.00570
O4 0.25890 0.00000 -0.01930 0.00760
O5 0.25380 0.17280 0.02680 0.00380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000210
