#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511443.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_1511443
loop_
_publ_author_name
'Dimitrova, O.V.'
'Pushcharovskii, D.Yu.'
'Gobechiya, E.R.'
'Pasero, M.'
'Merlino, S.'
_publ_section_title
;
 Hydrothermal synthesis and crystal structures of (Li, Ba)- nanoborate, Li
 Ba B9 O15, and Ba-borophosphate, Ba B P O5
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              70
_journal_page_last               75
_journal_paper_doi               10.1016/S0925-8388(01)02017-5
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'B Ba O5 P'
_chemical_name_systematic        'Ba (B P O5)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.114
_cell_length_b                   7.114
_cell_length_c                   6.993
_cell_volume                     306.494
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron0-1_68.cif
_cod_data_source_block           B1Ba1O5P1
_cod_original_cell_volume        306.4939
_cod_original_formula_sum        'B1 Ba1 O5 P1'
_cod_database_code               1511443
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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
O3 O-2 0 -0.0411 0.8333 1 0.0
P1 P+5 0.3896 0 0.1667 1 0.0
O2 O-2 0.8562 0.4274 -0.035 1 0.0
O1 O-2 0.1395 0.323 -0.0379 1 0.0
Ba1 Ba+2 0 0.39502 0.3333 1 0.0
B1 B+3 0 -0.093 0.3333 1 0.0
