#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010300.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_1010300
_chemical_name_systematic          'Boron arsenate'
_chemical_formula_structural       'B As O4'
_chemical_formula_sum              'As B O4'
_publ_section_title
;
Die Kristallstruktur von B P O~4~ und B As O~4~
;
loop_
_publ_author_name                  'Schulze, G E R'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    24
_journal_year                      1934
_journal_page_first                215
_journal_page_last                 240
_cell_length_a                     4.458(6)
_cell_length_b                     4.458(6)
_cell_length_c                     6.796(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       135.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.64
_symmetry_space_group_name_H-M     'I -4'
_symmetry_Int_Tables_number        82
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  As5+   5.000
  B3+    3.000
  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
  As1   As5+   2 a 0. 0. 0. 1.  0 d
  B1    B3+    2 c 0. 0.5 0.25 1.  0 d
  O1    O2-    8 g 0.16 0.26 0.14 1.  0 d
_cod_database_code 1010300