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#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/03/1530366.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_1530366
loop_
_publ_author_name
'Mattes, R.'
'Mennemann, K.'
'Jaeckel, N.'
'Brockmeyer, H.J.'
'Rieskamp, H.'
_publ_section_title
;
 Structure and properties of the fluorine-rich oxofluoromolybdates Cs3
 (Mo2 O6 F3), (N H4)3 (Mo2 O2 F9) and (N H4)2 (Mo O F5)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              199
_journal_page_last               212
_journal_volume                  76
_journal_year                    1980
_chemical_formula_sum            'F5 H8 Mo N2 O'
_chemical_name_systematic        '(N H4)2 (Mo O F5)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.047
_cell_length_b                   14.355
_cell_length_c                   7.056
_cell_volume                     612.494
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Mattes_JCOMAH_1980_509.cif
_cod_data_source_block           H8F5Mo1N2O1
_cod_original_cell_volume        612.4938
_cod_original_formula_sum        'H8 F5 Mo1 N2 O1'
_cod_database_code               1530366
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
_atom_site_attached_hydrogens
Mo1 Mo+5 0 0.1062 0 1 0.0 0
N1 N-3 0.5 0.2691 0.0022 1 0.0 4
F3 F-1 0.2234 0.1229 0.1944 1 0.0 0
N2 N-3 0.5 0.0583 0.4895 1 0.0 4
O1 O-2 0 0.0123 0.5166 1 0.0 0
F2 F-1 0.2596 0.3837 0.3164 1 0.0 0
F1 F-1 0.5 0.2549 0.5085 1 0.0 0
