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#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/71/1007182.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_1007182
_chemical_name_systematic          'Potassium beryllium phosphate'
_chemical_formula_structural       'K Be P O4'
_chemical_formula_sum              'Be K O4 P'
_publ_section_title
;
Contribution to the Crystal Chemistry of M(I) M(II) P O~4~
Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)
;
loop_
_publ_author_name
  'Masse, R'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    73
_journal_year                      1988
_journal_page_first                468
_journal_page_last                 472
_cell_length_a                     8.506(4)
_cell_length_b                     4.937(4)
_cell_length_c                     8.344(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       350.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c 21 n'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  K1+    1.000
  P5+    5.000
  O2-   -2.000
  Be2+   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 0.2092(2) 0.25 -0.0020(2) 1.  0 d
  P1    P5+    4 a 0.4185(2) 0.7361(7) 0.1910(2) 1.  0 d
  O1    O2-    4 a 0.4589(5) 0.023(1) 0.2519(6) 1.  0 d
  O2    O2-    4 a 0.4528(5) 1.039(1) 0.7516(6) 1.  0 d
  O3    O2-    4 a 0.4072(5) 0.736(2) 0.0090(5) 1.  0 d
  O4    O2-    4 a 0.2614(6) 0.645(1) 0.2600(6) 1.  0 d
  Be1   Be2+   4 a 0.0891(8) 0.756(2) 0.3169(7) 1.  0 d
_refine_ls_R_factor_all            0.043
_cod_database_code 1007182