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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008009.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_1008009
_chemical_name_systematic          'DILITHIUM CADMIUM CATENA-PHOSPHATE'
_chemical_formula_structural       'CD LI2 (P O3)4'
_chemical_formula_sum              'Cd Li2 O12 P4'
_publ_section_title
;
Structures cristallines des polyphosphates de cadmium-lithium et de
mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Tordjman, I'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    32
_journal_year                      1976
_journal_page_first                2953
_journal_page_last                 2956
_cell_length_a                     9.495(3)
_cell_length_b                     10.15(1)
_cell_length_c                     9.375(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       903.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,1/2-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  P5+    5.000
  O2-   -2.000
  Li1+   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
  Cd1   Cd2+   4 c 0.5136(6) 0.3058 0.25 1.  0 d
  P1    P5+    4 c 0.226(2) 0.487(1) 0.25 1.  0 d
  P2    P5+    8 d 0.294(1) 0.110(1) 0.468(1) 1.  0 d
  P3    P5+    4 c 0.304(2) 0.898(1) 0.25 1.  0 d
  O1    O2-    4 c 0.143(6) 0.354(4) 0.25 1.  0 d
  O2    O2-    4 c 0.391(5) 0.494(4) 0.25 1.  0 d
  O3    O2-    8 d 0.166(3) 0.576(2) 0.375(2) 1.  0 d
  O4    O2-    8 d 0.850(3) 0.506(3) 0.382(2) 1.  0 d
  O5    O2-    8 d 0.146(3) 0.121(2) 0.449(2) 1.  0 d
  O6    O2-    8 d 0.385(3) 0.229(2) 0.439(2) 1.  0 d
  O7    O2-    4 c 0.155(5) 0.884(4) 0.25 1.  0 d
  O8    O2-    4 c 0.392(5) 0.778(5) 0.25 1.  0 d
  Li1   Li1+   8 d 0.008(10) 0.836(4) 0.386(4) 1.  0 d
_refine_ls_R_factor_all            0.07