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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007892.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_9007892
loop_
_publ_author_name
'Barrier, N.'
'Tortelier, J.'
'Gougeon, P.'
_publ_section_title
;
 A new reduced molybdenum oxide with a hollandite-type structure, PrMo6O12
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i3
_journal_page_last               i5
_journal_paper_doi               10.1107/S1600536800019048
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     PrMo6O12
_chemical_formula_sum            'Mo6 O12 Pr'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.9147
_cell_length_b                   9.9147
_cell_length_c                   8.6508
_cell_formula_units_Z            4
_cell_volume                     850.385
_exptl_crystal_density_diffrn    7.096
_cod_original_formula_sum        'Pr Mo6 O12'
_cod_database_code               9007892
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pr 0.00000 0.00000 -0.20745 0.00788
Mo1 0.34033 -0.81670 -0.34174 0.00648
Mo2 0.33255 -0.81617 0.00000 0.00494
O1 0.45680 -0.17060 -0.33240 0.00660
O2 0.17220 -0.13050 -0.33290 0.00840
O3 0.46310 -0.16260 0.00000 0.00620
O4 0.12290 0.16020 0.00000 0.00650
_cod_duplicate_entry 2003034
