#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/71/1007150.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_1007150
_chemical_name_systematic          'Distrontium tetrametaphosphate hexahydrate'
_chemical_formula_structural       'Sr2 P4 O12 (H2 O)6'
_chemical_formula_sum              'H12 O18 P4 Sr2'
_publ_section_title
;
Structure of strontium tetrametaphosphate hexahydrate
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    42
_journal_year                      1986
_journal_page_first                927
_journal_page_last                 928
_cell_length_a                     6.644(3)
_cell_length_b                     7.365(4)
_cell_length_c                     8.618(4)
_cell_angle_alpha                  101.62(5)
_cell_angle_beta                   109.98(5)
_cell_angle_gamma                  95.65(5)
_cell_volume                       381.7
_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
  Sr2+   2.000
  P5+    5.000
  O2-   -2.000
  H1+    1.000
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 i 0.59881(8) 0.25201(7) 0.69116(6) 1.  0 d
  P1    P5+    2 i 0.2363(2) 0.1960(2) 0.2387(2) 1.  0 d
  P2    P5+    2 i 0.8421(2) 0.9056(2) 0.1247(2) 1.  0 d
  O1    O2-    2 i 0.0216(6) 0.8825(5) 0.8242(5) 1.  0 d
  O2    O2-    2 i 0.7048(6) 0.8855(6) 0.9265(5) 1.  0 d
  O3    O2-    2 i 0.7417(7) 0.5965(5) 0.7254(5) 1.  0 d
  O4    O2-    2 i 0.6422(6) 0.8946(5) 0.6273(5) 1.  0 d
  O5    O2-    2 i 0.0062(6) 0.2320(5) 0.8588(5) 1.  0 d
  O6    O2-    2 i 0.3108(6) 0.0872(6) 0.7835(5) 1.  0 d
  O7    O2-    2 i 0.7340(7) 0.5717(6) 0.3568(5) 1.  2 d
  O8    O2-    2 i 0.7368(8) 0.4064(6) 0.0279(6) 1.  2 d
  O9    O2-    2 i 0.8182(7) 0.2533(6) 0.4895(5) 1.  2 d
  H1    H1+    2 i 0.74(1) 0.50(1) 0.27(1) 1.  0 d
  H2    H1+    2 i 0.75(1) 0.52(1) 0.43(1) 1.  0 d
  H3    H1+    2 i 0.78(1) 0.39(1) 0.12(1) 1.  0 d
  H4    H1+    2 i 0.83(2) 0.50(1) 0.04(1) 1.  0 d
  H5    H1+    2 i 0.03(1) 0.73(1) 0.47(1) 1.  0 d
  H6    H1+    2 i 0.79(1) 0.15(1) 0.39(1) 1.  0 d
_refine_ls_R_factor_all            0.042
_cod_database_code 1007150