#------------------------------------------------------------------------------
#$Date: 2016-02-16 17:55:33 +0100 (mar 16 de feb de 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103470.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_8103470
loop_
_publ_author_name
'Haines, J.'
'Chateau, C.'
'Astier, R.'
'Fertey, P.'
'Cambon, O.'
_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            'B O4 P'
_chemical_name_systematic        'B (P 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                   4.4605
_cell_length_b                   4.4605
_cell_length_c                   9.9
_cell_volume                     170.582
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            boron0-1_416.cif
_cod_data_source_block           B1O4P1
_cod_original_cell_volume        170.5819
_cod_original_formula_sum        'B1 O4 P1'
_cod_database_code               8103470
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
B1 B+3 0.4638 0 0.3333 1 0.0
P1 P+5 0.4639 0 0.8333 1 0.0
O2 O-2 0.4052 0.282 0.88939 1 0.0
O1 O-2 0.4069 0.2715 0.3849 1 0.0
