#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/72/1007236.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_1007236
_chemical_name_systematic          'Caesium zinc phosphate(V) - III'
_chemical_formula_structural       'Cs Zn (P O4)'
_chemical_formula_sum              'Cs O4 P Zn'
_publ_section_title
;
Crystal structures of the three forms of Cs Zn P O4
;
loop_
_publ_author_name
  'Blum, D'
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Ferroelectrics'
_journal_coden_ASTM                FEROA8
_journal_volume                    69
_journal_year                      1986
_journal_page_first                283
_journal_page_last                 292
_cell_length_a                     18.32999(9000)
_cell_length_b                     5.45(4)
_cell_length_c                     9.25(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90.14(8)
_cell_angle_gamma                  90
_cell_volume                       924.1
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  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
  Cs1   Cs1+   4 e 0.00299(4) 0.2427(1) 0.20475(9) 1.  0 d
  Cs2   Cs1+   4 e 0.25025(4) 0.7218(1) 0.69046(8) 1.  0 d
  Zn1   Zn2+   4 e 0.08738(6) 0.2536(2) 0.5831(1) 1.  0 d
  Zn2   Zn2+   4 e 0.16610(6) 0.7215(2) 0.0887(1) 1.  0 d
  P1    P5+    4 e 0.0965(1) 0.7527(4) 0.4181(3) 1.  0 d
  P2    P5+    4 e 0.3453(1) 0.7232(4) 0.0925(3) 1.  0 d
  O1    O2-    4 e -0.0172(4) 0.251(5) 0.5638(11) 1.  0 d
  O2    O2-    4 e 0.8864(5) 0.188(2) 0.7395(10) 1.  0 d
  O3    O2-    4 e 0.8700(4) 0.050(1) 0.4855(10) 1.  0 d
  O4    O2-    4 e 0.3701(4) 0.005(1) 0.5399(10) 1.  0 d
  O5    O2-    4 e 0.2681(4) 0.742(2) 0.1463(11) 1.  0 d
  O6    O2-    4 e 0.6037(4) 0.186(1) 0.7880(9) 1.  0 d
  O7    O2-    4 e 0.3566(5) 0.844(1) 0.9575(10) 1.  0 d
  O8    O2-    4 e 0.3647(5) 0.457(1) 0.0568(10) 1.  0 d
_refine_ls_R_factor_all            0.043
_cod_database_code 1007236