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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/72/1537262.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_1537262
loop_
_publ_author_name
'Garin, J.L.'
'Blanc, J.M.'
_publ_section_title
;
 Refinamiento de la estructura cristalina del N H3 (Mo O3)3
;
_journal_name_full
;
Contribuciones Cientificas y Technologicas. Universidad Technica del Estado. 
Santiago de Chile
;
_journal_page_first              43
_journal_page_last               55
_journal_volume                  13
_journal_year                    1983
_chemical_formula_sum            'H3 Mo3 N O9'
_chemical_name_systematic        'N H3 (Mo O3)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.568
_cell_length_b                   10.568
_cell_length_c                   3.726
_cell_volume                     360.379
_citation_journal_id_ASTM        CCTEDC
_cod_data_source_file            Garin_CCTEDC_1983_672.cif
_cod_data_source_block           H3Mo3N1O9
_cod_original_cell_volume        360.3787
_cod_original_formula_sum        'H3 Mo3 N1 O9'
_cod_database_code               1537262
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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 0.6445 0.5418 0.25 1 0.0
O2 O-2 0.713 0.72 0.25 1 0.0
O1 O-2 0.771 0.489 0.25 1 0.0
O3 O-2 0.415 0.492 0.25 1 0.0
N1 N-3 0 0 0 1 0.0
