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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/10/2311018.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2311018
loop_
_publ_author_name
'Waugh, J.L.T.'
'Shoemaker, D.P.'
'Pauling, L.'
_publ_section_title
;
 On the structure of the heteropoly anion in ammonium 9-molybdomanganate,
 (N H4)6 Mn Mo9 O32 (H2 O)8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              438
_journal_page_last               441
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Mn Mo3'
_chemical_name_systematic        '(N H4)6 (Mn Mo9 O32) (H2 O)8'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.94
_cell_length_b                   15.94
_cell_length_c                   12.38
_cell_volume                     2724.131
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Waugh_ACCRA9_1954_214.cif
_cod_data_source_block           Mn1Mo3
_cod_original_cell_volume        2724.13
_cod_original_formula_sum        'Mn1 Mo3'
_cod_database_code               2311018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1 Mo+6 0.209 0 0 1 0.0
Mn1 Mn+4 0 0 0 1 0.0
