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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/1/53/84/1538471.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538471
loop_
_publ_author_name
'Pezerat, H.'
_publ_section_title
;
 Problemes de non-stoechiometrie dans certains molybdates hydrates de
 zinc, cobalt et nickel
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              549
_journal_page_last               557
_journal_volume                  90
_journal_year                    1967
_chemical_formula_sum            'H7 Mo2 N O10 Zn2'
_chemical_name_systematic        'H3 N H4 Zn2 Mo2 O10'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.104
_cell_length_b                   6.104
_cell_length_c                   21.67
_cell_volume                     699.228
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Pezerat_BUFCAE_1967_391.cif
_cod_data_source_block           H7Mo2N1O10Zn2
_cod_original_cell_volume        699.2277
_cod_original_formula_sum        'H7 Mo2 N1 O10 Zn2'
_cod_database_code               1538471
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,-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+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
-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
N1 N-3 0 0 0.5 1 0.0
O3 O-2 0 0 0.298 1 0.0
O2 O-2 0 0 0.173 1 0.0
Mo1 Mo+6 0 0 0.0917 1 0.0
Zn1 Zn+2 0.5 0 0 0.67 0.0
O1 O-2 0.1587 0.8413 0.0624 1 0.0
