#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007084.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_1007084
_chemical_name_systematic          'Lead tetrasodium cyclo-triphosphate'
_chemical_formula_structural       'Pb Na4 (P3 O9)2'
_chemical_formula_sum              'Na4 O18 P6 Pb'
_publ_section_title
;
Crystal structure of lead-tetrasodium trimetaphosphate: Pb Na~4~ (P~3~
O~9~)~2~, Crystal data for Ba Na~4~ (P~3~ O~9~)~2~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    164
_journal_year                      1983
_journal_page_first                307
_journal_page_last                 313
_cell_length_a                     7.268(4)
_cell_length_b                     8.151(5)
_cell_length_c                     7.851(5)
_cell_angle_alpha                  121.52(5)
_cell_angle_beta                   102.06(5)
_cell_angle_gamma                  73.00(5)
_cell_volume                       378.3
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Na1+   1.000
  P5+    5.000
  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
  Pb1   Pb2+   2 i 0.0797(1) 0.1970(1) 0.16961(9) 0.5  0 d
  Na1   Na1+   2 i 0.0797(1) 0.1970(1) 0.16961(9) 0.5  0 d
  P1    P5+    2 i 0.2307(3) 0.9791(3) 0.6795(3) 1.  0 d
  P2    P5+    2 i 0.5046(3) 0.7785(3) 0.0464(3) 1.  0 d
  P3    P5+    2 i 0.7656(3) 0.6671(3) 0.3209(3) 1.  0 d
  Na2   Na1+   2 i 0.1788(5) 0.6575(5) 0.1759(5) 1.  0 d
  Na3   Na1+   1 h 0.5 0.5 0.5 1.  0 d
  O1    O2-    2 i 0.2525(9) 0.7702(8) 0.5205(9) 1.  0 d
  O2    O2-    2 i 0.0739(9) 0.0708(8) -0.1789(8) 1.  0 d
  O3    O2-    2 i 0.4332(9) 0.0115(7) 0.8058(8) 1.  0 d
  O4    O2-    2 i 0.2062(9) 0.1102(7) 0.5745(8) 1.  0 d
  O5    O2-    2 i 0.2919(9) 0.8213(8) 0.0189(8) 1.  0 d
  O6    O2-    2 i 0.3732(10) 0.3420(8) 0.1289(8) 1.  0 d
  O7    O2-    2 i 0.263(1) 0.3652(8) 0.5188(8) 1.  0 d
  O8    O2-    2 i 0.0780(9) 0.4719(8) -0.1827(8) 1.  0 d
  O9    O2-    2 i 0.4368(9) 0.3192(7) 0.8094(7) 1.  0 d
_refine_ls_R_factor_all            0.049
_cod_database_code 1007084