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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103888.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_8103888
loop_
_publ_author_name
'Haines, J.'
'Cambon, O.'
'Chateau, C.'
'Astier, R.'
'Fertey, P.'
_publ_section_title
;
 Crystal structures of alpha-quartz homeotypes boron phosphate and boron
 arsenate: structure - property relationships
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              32
_journal_page_last               37
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'As B O4'
_chemical_name_systematic        'B (As O4)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.547
_cell_length_b                   4.547
_cell_length_c                   10.304
_cell_volume                     184.496
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Haines_ZEKRDZ_2004_1223.cif
_cod_data_source_block           As1B1O4
_cod_original_cell_volume        184.4958
_cod_original_formula_sum        'As1 B1 O4'
_cod_database_code               8103888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
As1 As+5 -0.45657 0 0.8333 1 0.0
O1 O-2 -0.4024 -0.2781 0.37238 1 0.0
O2 O-2 -0.3952 -0.3114 0.8884 1 0.0
B1 B+3 -0.4609 0 0.3333 1 0.0
