#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:13:49 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172034 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/73/2107311.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107311
loop_
_publ_author_name
'von Dreele, R.B.'
'Eyring, L.'
'Bowman, A.L.'
'Yarnell, J.L.'
_publ_section_title
;
 Refinement of the crystal structure of Pr7 O12 by powder neutron
 diffraction
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              971
_journal_page_last               974
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O12 Pr7'
_chemical_name_systematic        'Pr7 O12'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.278
_cell_length_b                   10.278
_cell_length_c                   9.6069
_cell_volume                     878.883
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            vonDreele_ACBCAR_1975_542.cif
_cod_data_source_block           O12Pr7
_cod_original_cell_volume        878.8831
_cod_database_code               2107311
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O1 O 0.3721 0.8757 0.5617 1 0.0
O2 O 0.9671 0.7783 0.6013 1 0.0
Pr1 Pr 0 0 0 1 0.0
Pr2 Pr 0.9529 0.7458 0.3476 1 0.0
