#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007263.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_1007263
_chemical_name_systematic          'Beryllium potassium tris(phosphate(V))'
_chemical_formula_structural       'Be K (P O3)3'
_chemical_formula_sum              'Be K O9 P3'
_publ_section_title
;
Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    177
_journal_year                      1986
_journal_page_first                139
_journal_page_last                 142
_cell_length_a                     7.855(1)
_cell_length_b                     8.610(2)
_cell_length_c                     11.399(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       770.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  P5+    5.000
  Be2+   2.000
  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
  K1    K1+    4 a 0.0016(1) 0.29692(9) 0.93145(6) 1.  0 d
  P1    P5+    4 a 0.30789(8) 0.29425(8) 0.38233(6) 1.  0 d
  P2    P5+    4 a -0.18107(8) 0.49642(8) 0.20236(6) 1.  0 d
  P3    P5+    4 a 0.19002(8) 0.50367(8) 0.20129(6) 1.  0 d
  Be1   Be2+   4 a 0.6792(4) 0.2921(4) 0.3718(3) 1.  0 d
  O1    O2-    4 a 0.7606(3) 0.7539(3) 0.0018(3) 1.  0 d
  O2    O2-    4 a -0.0152(3) 0.1449(2) 0.6269(3) 1.  0 d
  O3    O2-    4 a 0.2041(3) 0.8490(2) 0.7963(2) 1.  0 d
  O4    O2-    4 a 0.7059(3) 0.5691(2) 0.8237(2) 1.  0 d
  O5    O2-    4 a 0.7151(3) 0.5997(3) 0.6000(2) 1.  0 d
  O6    O2-    4 a 0.4967(3) 0.4242(2) 0.6999(2) 1.  0 d
  O7    O2-    4 a 0.6914(3) 0.1391(2) 0.2883(2) 1.  0 d
  O8    O2-    4 a 0.2826(3) 0.6109(3) 0.6080(2) 1.  0 d
  O9    O2-    4 a 0.1863(3) 0.4211(2) 0.3281(2) 1.  0 d
_refine_ls_R_factor_all            0.023