#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007017.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_1007017
_chemical_name_systematic          'Beryllium catena-phosphate - II'
_chemical_formula_structural       'BE (P O3)2'
_chemical_formula_sum              'Be O6 P2'
_publ_section_title
;
Structure cristalline du polyphosphate de beryllium:  Be (P O~3~)~2~
(II)
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Durif, A'
  'Tordjman, I'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                3462
_journal_page_last                 3464
_cell_length_a                     6.959(5)
_cell_length_b                     12.853(9)
_cell_length_c                     4.839(5)
_cell_angle_alpha                  90
_cell_angle_beta                   106.79(1)
_cell_angle_gamma                  90
_cell_volume                       414.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/n 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,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Be2+   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
  Be1   Be2+   4 e 0.7641(2) 0.0665(1) 0.1288(3) 1.  0 d
  P1    P5+    4 e 0.17111(30) 0.13135(20) 0.15001(50) 1.  0 d
  P2    P5+    4 e 0.58107(30) 0.15021(20) 0.54924(50) 1.  0 d
  O1    O2-    4 e 0.6496(1) 0.26230(5) 0.4727(2) 1.  0 d
  O2    O2-    4 e 0.3451(1) 0.15614(6) 0.4346(1) 1.  0 d
  O3    O2-    4 e 0.4891(1) 0.38661(6) 0.7440(2) 1.  0 d
  O4    O2-    4 e 0.7336(1) 0.44762(6) 0.4710(2) 1.  0 d
  O5    O2-    4 e 0.6626(1) 0.07169(5) 0.3878(1) 1.  0 d
  O6    O2-    4 e 0.6332(1) 0.13873(6) 0.8669(1) 1.  0 d
_refine_ls_R_factor_all            0.034
_cod_database_code 1007017