#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/72/1007238.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_1007238
_chemical_name_systematic          'Caesium zinc phosphate(V) - I'
_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                     9.194(3)
_cell_length_b                     5.490(2)
_cell_length_c                     9.388(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       473.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-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 c 0.0028(1) 0.25 0.19822(9) 1.  0 d
  Zn1   Zn2+   4 c 0.1714(1) 0.25 0.5836(1) 1.  0 d
  P1    P5+    4 c 0.8048(3) 0.25 0.5880(3) 1.  0 d
  O1    O2-    4 c -0.0374(9) 0.25 0.598(2) 1.  0 d
  O2    O2-    4 c 0.7382(18) 0.25 0.728(1) 1.  0 d
  O3    O2-    8 d 0.7490(8) 0.028(2) 0.512(1) 1.  0 d
_refine_ls_R_factor_all            0.042
_cod_database_code 1007238