#------------------------------------------------------------------------------
#$Date: 2025-11-01 13:29:51 +0100 (Sat 01 de Nov de 2025) $
#$Revision: 303136 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/07/9000725.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_9000725
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Armangite, Mn26[As6(OH)4O14][As6O18]2[CO3], a fluorite derivative structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              748
_journal_page_last               757
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'C As18 Mn26 O57'
_chemical_name_mineral           Armangite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.491
_cell_length_b                   13.491
_cell_length_c                   8.855
_cell_volume                     1395.750
_database_code_amcsd             0000738
_exptl_crystal_density_diffrn    4.403
_cod_original_cell_volume        1395.749
_cod_original_formula_sum        'C Mn26 As18 O57'
_cod_database_code               9000725
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-x,-y,-z
-y,x-y,z
x-y,x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C 0.00000 0.00000 0.00000 1.00000
Mn1 0.33333 0.66667 0.30314 1.00000
Mn2 0.33535 0.16007 0.30385 1.00000
Mn3 0.33164 0.41219 0.31632 1.00000
Mn4 0.09437 0.41460 0.35678 1.00000
Mn5 0.25044 0.24126 -0.00272 1.00000
As1 0.09897 0.18907 0.34454 1.00000
As2 0.58542 0.17085 0.37161 1.00000
As3 0.29352 0.49418 0.00731 1.00000
O1 0.22140 0.22850 0.23360 1.00000
O2 0.02310 0.24270 0.23970 1.00000
O3 0.17250 0.31750 0.45490 1.00000
O4 0.44250 0.07600 0.32700 1.00000
O5 0.57610 0.17060 0.57600 1.00000
O6 0.65400 0.08810 0.37500 1.00000
O7 0.38550 0.43980 0.06760 1.00000
O8 0.24250 0.49610 0.19160 1.00000
O9 0.18440 0.35880 0.94270 1.00000
O10 0.11150 0.05200 0.00000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000738
2 ROD 1000508
3 ROD 1000509
4 ROD 1000651
5 ROD 1000652
