#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007082.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_1007082
_chemical_name_systematic          'Potassium tetrazinc phosphate'
_chemical_formula_structural       'K Zn4 (P O4)3'
_chemical_formula_sum              'K O12 P3 Zn4'
_publ_section_title
;
Structure du Monophosphate de Potassium-Zinc: K Zn~4~ (P O~4~)~3~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                151
_journal_page_last                 152
_cell_length_a                     13.81(1)
_cell_length_b                     8.166(8)
_cell_length_c                     9.675(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1091.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c c n'
_symmetry_Int_Tables_number        56
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,z'
  '1/2+x,-y,1/2-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,y,1/2+z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  K1+    1.000
  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+   8 e 0.05049(6) 0.1055(1) 0.19316(9) 1.  0 d
  Zn2   Zn2+   8 e 0.14556(6) 0.08671(9) 0.49742(9) 1.  0 d
  K1    K1+    4 d 0.75 0.25 0.1930(3) 1.  0 d
  P1    P5+    8 e 0.5655(1) 0.2454(2) 0.4338(2) 1.  0 d
  P2    P5+    4 c 0.25 0.25 0.2538(3) 1.  0 d
  O1    O2-    8 e 0.2630(4) 0.4022(6) 0.3415(6) 1.  0 d
  O2    O2-    8 e 0.3396(4) 0.2356(6) 0.1556(5) 1.  0 d
  O3    O2-    8 e 0.4712(4) 0.3420(6) 0.3930(6) 1.  0 d
  O4    O2-    8 e 0.4129(4) 0.6182(6) 0.1767(6) 1.  0 d
  O5    O2-    8 e 0.1501(4) 0.6327(6) 0.0636(6) 1.  0 d
  O6    O2-    8 e 0.4482(4) 0.8297(7) 0.4250(5) 1.  0 d
_refine_ls_R_factor_all            0.045
_cod_database_code 1007082