#------------------------------------------------------------------------------
#$Date: 2014-07-11 19:04:56 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/24/2002410.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_2002410
_chemical_name_systematic          'Tristrontium tetrapraseodymium oxide'
_chemical_formula_structural       'Sr3 Pr4 O9'
_chemical_formula_sum              'O9 Pr4 Sr3'
_publ_section_title
;
Metastabile Oxometallate der Lanthanoidmetalle: Zur Kenntnis von Sr3
Pr4 O9 und Sr3 La2 Sm2 O9. Mit einem Beitrag ueber Sr Pr2 O4
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Boehlke, A'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    553
_journal_year                      1987
_journal_page_first                212
_journal_page_last                 218
_cell_length_a                     11.468(24)
_cell_length_b                     7.262(17)
_cell_length_c                     13.218(24)
_cell_angle_alpha                  90
_cell_angle_beta                   115.61(18)
_cell_angle_gamma                  90
_cell_volume                       992.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Pr3+   3.000
  O2-   -2.000
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_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sr1   Sr2+   4 a 0.75 0.0881(18) 0. 0.4286  0 d
  Sr2   Sr2+   4 a 0.5719(15) 0.8025(16) 0.2215(16) 0.4286  0 d
  Sr3   Sr2+   4 a 0.8314(21) 0.1283(35) 0.2961(18) 0.4286  0 d
  Sr4   Sr2+   4 a 0.8389(16) 0.3421(16) 0.6738(15) 0.4286  0 d
  Sr5   Sr2+   4 a 0.6239(14) 0.6092(19) 0.8814(11) 0.4286  0 d
  Sr6   Sr2+   4 a 0.9388(16) 0.4424(15) 0.9514(13) 0.4286  0 d
  Sr7   Sr2+   4 a 0.0616(17) 0.8668(29) 0.0904(15) 0.4286  0 d
  Pr1   Pr3+   4 a 0.75 0.0881(18) 0. 0.5714  0 d
  Pr2   Pr3+   4 a 0.5719(15) 0.8025(16) 0.2215(16) 0.5714  0 d
  Pr3   Pr3+   4 a 0.8314(21) 0.1283(35) 0.2961(18) 0.5714  0 d
  Pr4   Pr3+   4 a 0.8389(16) 0.3421(16) 0.6738(15) 0.5714  0 d
  Pr5   Pr3+   4 a 0.6239(14) 0.6092(19) 0.8814(11) 0.5714  0 d
  Pr6   Pr3+   4 a 0.9388(16) 0.4424(15) 0.9514(13) 0.5714  0 d
  Pr7   Pr3+   4 a 0.0616(17) 0.8668(29) 0.0904(15) 0.5714  0 d
  O1    O2-    4 a 0.094(15) 0.159(24) 0.054(14) 1.  0 d
  O2    O2-    4 a 0.350(15) 0.138(25) 0.586(13) 1.  0 d
  O3    O2-    4 a 0.297(16) 0.315(23) 0.325(12) 1.  0 d
  O4    O2-    4 a 0.052(16) 0.183(24) 0.400(15) 1.  0 d
  O5    O2-    4 a 0.147(12) 0.567(20) 0.137(10) 1.  0 d
  O6    O2-    4 a 0.243(14) 0.954(22) 0.272(12) 1.  0 d
  O7    O2-    4 a 0.038(15) 0.589(23) 0.332(12) 1.  0 d
  O8    O2-    4 a 0.433(20) 0.471(26) 0.202(18) 1.  0 d
  O9    O2-    4 a 0.839(18) 0.235(20) 0.483(14) 1.  0 d
_refine_ls_R_factor_all            0.117
_cod_database_code 2002410
_journal_paper_doi 10.1002/zaac.19875531025