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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/1/53/25/1532569.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_1532569
loop_
_publ_author_name
'Achary, S.N.'
'Mukherjee, G.D.'
'Tyagi, A.K.'
'Godwal, B.K.'
_publ_section_title
;
 New polymorph of Hf Mo2 O8 synthesized using a high-pressure and
 high-temperature toroid anvil setup
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              184106-1
_journal_page_last               184106-5
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Hf Mo2 O8'
_chemical_name_systematic        'Hf (Mo2 O8)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4138
_cell_length_b                   7.9105
_cell_length_c                   7.4395
_cell_volume                     567.452
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Achary_PRBMDO_2002_616.cif
_cod_data_source_block           Hf1Mo2O8
_cod_original_cell_volume        567.4523
_cod_original_formula_sum        'Hf1 Mo2 O8'
_cod_database_code               1532569
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
O2 O-2 0.168 0.161 0.439 1 0.0
Mo1 Mo+6 0.2184 0.2795 0.2615 1 0.0
O1 O-2 0.082 0.098 0.073 1 0.0
O3 O-2 0.349 0.291 0.226 1 0.0
Hf1 Hf+4 0 0.9825 0.25 1 0.0
O4 O-2 0.125 0.454 0.173 1 0.0
