#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007099.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_1007099
_chemical_name_systematic          'Strontium disodium cyclo-tetraphosphate'
_chemical_formula_structural       'Sr NA2 P4 O12'
_chemical_formula_sum              'Na2 O12 P4 Sr'
_publ_section_title
;
Structure d'un Tetrametaphosphate de Sodium-Strontium: Sr Na~2~ P~4~
O~12~
;
_space_group_IT_number           125
_symmetry_space_group_name_Hall  '-P 4a 2b'
_symmetry_space_group_name_H-M   'P 4/n b m :2'
_[local]_cod_cif_authors_sg_H-M  'P 4/n b m Z'
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    39
_journal_year                      1983
_journal_page_first                811
_journal_page_last                 812
_cell_length_a                     9.838(5)
_cell_length_b                     9.838(5)
_cell_length_c                     5.003(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       484.2
_cell_formula_units_Z              2
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,z'
  '1/2+x,-y,z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
  'x,1/2-y,-z'
  '1/2-x,y,-z'
  '1/2+x,1/2+y,-z'
  'y,x,-z'
  '1/2+y,-x,-z'
  '-y,1/2+x,-z'
  '1/2-y,1/2-x,-z'
  '-y,-x,z'
  '1/2-y,x,z'
  'y,1/2-x,z'
  '1/2+y,1/2+x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  P5+    5.000
  Na1+   1.000
  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+   2 b 0.25 0.25 0.5 1.  0 d
  P1    P5+    8 k 0.53755(6) 0.25 0. 1.  0 d
  Na1   Na1+   4 f 0. 0. 0.5 1.  0 d
  O1    O2-    8 m -0.3602 0.3602 0.1301(4) 1.  0 d
  O2    O2-   16 n 0.1892(2) 0.0366(2) 0.2279(3) 1.  0 d
_refine_ls_R_factor_all            0.02