#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Schulze, G E R'
_publ_section_title
;
Die Kristallstruktur von B P O₄ und B As O₄
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              215
_journal_page_last               240
_journal_volume                  24
_journal_year                    1934
_chemical_formula_structural     'B As O4'
_chemical_formula_sum            'As B O4'
_chemical_name_systematic        'Boron arsenate'
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.458(6)
_cell_length_b                   4.458(6)
_cell_length_c                   6.796(8)
_cell_volume                     135.1
_exptl_crystal_density_meas      3.64
_cod_database_code               1010300
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
As5+ 5.000
B3+ 3.000
O2- -2.000
