###############################################################################
# Schweda, E.;Bevan, D.J.M.;Eyring, L. (1991)
# Journal of Solid State Chemistry 90, 109-125
# On the PrnO2n-2 series of oxides and the structure of Pr24O44: an \
# investigation by high-resolution electron microscopy
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_69109-ICSD
_database_code_ICSD                69109
_audit_creation_date               1992-01-20
_chemical_name_systematic
'Praseodymium oxide (24/44)'
_chemical_formula_structural       
'Pr24 O44'
_chemical_formula_sum              
'O44 Pr24'
_publ_section_title                
'O44 Pr24'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Solid State Chemistry' 1991 90 109 125 JSSCBI
loop_
_publ_author_name
Schweda, E.;Bevan, D.J.M.;Eyring, L.
_cell_length_a                     6.687
_cell_length_b                     11.602
_cell_length_c                     12.829
_cell_angle_alpha                  90.
_cell_angle_beta                   100.7
_cell_angle_gamma                  90.
_cell_volume                       978.0006
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pr3+67     3.667
O2-     -2.
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Pr1 Pr3+67 2 i 0 0.083 0.75 0. 1.
Pr2 Pr3+67 2 i 0.993 0.434 0.749 0. 1.
Pr3 Pr3+67 2 i 0.526 0.257 0.746 0. 1.
Pr4 Pr3+67 2 i 0.264 0.254 0.015 0. 1.
Pr5 Pr3+67 2 i 0.474 0.91 0.753 0. 1.
Pr6 Pr3+67 2 i 0.736 0.912 0.484 0. 1.
Pr7 Pr3+67 2 i 0.007 0.733 0.75 0. 1.
Pr8 Pr3+67 2 i 0.75 0.0833 0 0. 1.
Pr9 Pr3+67 2 i 0.75 0.4167 0 0. 1.
Pr10 Pr3+67 2 i 0.75 0.25 0.5 0. 1.
Pr11 Pr3+67 2 i 0.25 0.4167 0.5 0. 1.
Pr12 Pr3+67 2 i 0.5 0.4167 0.25 0. 1.
O1 O2- 2 i 0.857 0.251 0.704 0. 1.
O2 O2- 2 i 0.5625 0.4167 0.4375 0. 1.
O3 O2- 2 i 0.681 0.436 0.814 0. 1.
O4 O2- 2 i 0.069 0.397 0.935 0. 1.
O5 O2- 2 i 0.894 0.415 0.545 0. 1.
O6 O2- 2 i 0.8135 0.59 0.672 0. 1.
O7 O2- 2 i 0.284 0.406 0.691 0. 1.
O8 O2- 2 i 0.1865 0.5765 0.827 0. 1.
O9 O2- 2 i 0.543 0.244 0.921 0. 1.
O10 O2- 2 i 0.465 0.426 0.058 0. 1.
O11 O2- 2 i 0.082 0.102 0.923 0. 1.
O12 O2- 2 i 0.906 0.239 0.061 0. 1.
O13 O2- 2 i 0.5395 0.909 0.9315 0. 1.
O14 O2- 2 i 0.2905 0.256 0.196 0. 1.
O15 O2- 2 i 0.297 0.105 0.7 0. 1.
O16 O2- 2 i 0.465 0.259 0.558 0. 1.
O17 O2- 2 i 0.702 0.061 0.799 0. 1.
O18 O2- 2 i 0.143 0.916 0.795 0. 1.
O19 O2- 2 i 0.319 0.731 0.685 0. 1.
O20 O2- 2 i 0.931 0.77 0.564 0. 1.
O21 O2- 2 i 0.5435 0.077 0.4215 0. 1.
O22 O2- 2 i 0.918 0.063 0.5765 0. 1.
#End of data_69109-ICSD

