#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007095.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_1007095
_chemical_name_systematic          'Zinc catena-phosphate'
_chemical_formula_structural       'Zn (P O3)2'
_chemical_formula_sum              'O6 P2 Zn'
_publ_section_title
;
Structure d'un Polyphosphate de Zinc, Zn (P O~3~)~2~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Bagieu-Beucher, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    39
_journal_year                      1983
_journal_page_first                25
_journal_page_last                 26
_cell_length_a                     9.734(2)
_cell_length_b                     8.889(2)
_cell_length_c                     4.963(1)
_cell_angle_alpha                  90
_cell_angle_beta                   108.49(5)
_cell_angle_gamma                  90
_cell_volume                       407.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+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
  Zn2+   2.000
  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
  Zn1   Zn2+   4 e 0. 0.11825(3) 0.25 1.  0 d
  P1    P5+    8 f 0.21227(4) 0.41064(4) 0.23842(7) 1.  0 d
  O1    O2-    8 f 0.3527(1) -0.0052(1) 0.0451(2) 1.  0 d
  O2    O2-    8 f 0.3740(1) 0.4270(1) 0.3403(2) 1.  0 d
  O3    O2-    8 f 0.1490(1) 0.2581(1) 0.1895(3) 1.  0 d
_refine_ls_R_factor_all            0.021
_cod_database_code 1007095