#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/16/1511625.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_1511625
loop_
_publ_author_name
'Zhao Jingthai'
'Chen Haohong'
'Xiong Dingbang'
'Yang Xinxin'
_publ_section_title
;
 Low-temperature flux syntheses and characterizations of two 1-D anhydrous
 borophosphates: Na3 B6 P O13 and Na3 B P2 O8
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              233
_journal_page_last               239
_journal_paper_doi               10.1016/j.jssc.2006.09.034
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'B6 Na3 O13 P'
_chemical_name_systematic        'Na3 B6 P O13'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3727
_cell_length_b                   16.2307
_cell_length_c                   6.7232
_cell_volume                     1022.770
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron4-x_278.cif
_cod_data_source_block           B6Na3O13P1
_cod_original_cell_volume        1022.77
_cod_original_formula_sum        'B6 Na3 O13 P1'
_cod_database_code               1511625
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O8 O-2 0.3055 0.25 0.6233 1 0.0
O3 O-2 0.445 0.25 0.0584 1 0.0
O5 O-2 0.31069 0.48914 0.7355 1 0.0
P1 P+5 0.30992 0.25 0.17409 1 0.0
O6 O-2 0.05896 0.48815 0.74878 1 0.0
Na2 Na+1 -0.05993 0.6332 0.74344 1 0.0
B2 B+3 0.4359 0.44737 0.6951 1 0.0
O7 O-2 0.18013 0.37704 0.5956 1 0.0
O4 O-2 0.43959 0.37474 0.6016 1 0.0
B1 B+3 0.3098 0.32927 0.5363 1 0.0
O1 O-2 0.1707 0.25 0.0667 1 0.0
O2 O-2 0.31251 0.32733 0.3163 1 0.0
B3 B+3 0.1835 0.44966 0.6912 1 0.0
Na1 Na+1 0.56022 0.25 -0.25206 1 0.0
