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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511442.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_1511442
loop_
_publ_author_name
'Rao, G.'
'Chen, X.'
'Yang, J.'
'Zhuang, W.'
'Zhang, H.'
'Liu, Q.'
'Liang, J.'
'Shi, Y.'
_publ_section_title
;
 Crystal structure and thermal decomposition studies of barium
 borophosphate, Ba B P O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              43
_journal_page_last               51
_journal_paper_doi               10.1006/jssc.1997.7588
_journal_volume                  135
_journal_year                    1998
_chemical_formula_sum            'B Ba O5 P'
_chemical_name_systematic        'Ba (B P O5)'
_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                   7.1094
_cell_length_b                   7.1094
_cell_length_c                   6.9895
_cell_volume                     305.944
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_67.cif
_cod_data_source_block           B1Ba1O5P1
_cod_original_cell_volume        305.9445
_cod_original_formula_sum        'B1 Ba1 O5 P1'
_cod_database_code               1511442
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
Ba1 Ba+2 0.3949 0 0.3333 1 0.0
P1 P+5 0.3922 0 0.8333 1 0.0
O3 O-2 -0.0355 0 0.8333 1 0.0
B1 B+3 -0.0816 0 0.3333 1 0.0
O2 O-2 0.4279 0.8606 -0.0323 1 0.0
O1 O-2 0.3274 0.1414 -0.0392 1 0.0
