#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/78/9007836.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_9007836
loop_
_publ_author_name
'Range, K. J.'
'Bauer, K.'
'Klement, U.'
_publ_section_title
;
 (NH4)Mo3O9, an ammonium molybdenum bronze
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2007
_journal_page_last               2009
_journal_paper_doi               10.1107/S0108270190002633
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     (NH4)Mo3O9
_chemical_formula_sum            'Mo3 N O9'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.56
_cell_angle_gamma                90
_cell_length_a                   14.819
_cell_length_b                   7.708
_cell_length_c                   6.386
_cell_formula_units_Z            4
_cell_volume                     728.032
_database_code_amcsd             0010198
_exptl_crystal_density_diffrn    4.067
_cod_original_formula_sum        'Mo3 O9 N'
_cod_database_code               9007836
_amcsd_formula_title             (NH4)Mo3O9
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mo1 0.05781 0.26130 0.27020 0.00750
Mo2 0.11780 0.00000 0.64440 0.00910
O1 0.00000 0.25800 0.00000 0.00900
O2 0.08050 0.23700 0.59160 0.01000
O3 0.16660 0.25900 0.21400 0.01400
O4 0.03860 0.00000 0.30900 0.00500
O5 0.21830 0.00000 0.52900 0.01400
O6 0.14540 0.00000 0.90400 0.01600
O7 0.53850 0.00000 0.29600 0.01300
N 0.31490 0.00000 0.17700 0.01500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010198
