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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511252.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_1511252
loop_
_publ_author_name
'Xiong Dingbang'
'Yang Xinxin'
'Zhao Jingthai'
'Chen Haohong'
_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            'B Na3 O8 P2'
_chemical_name_systematic        'Na3 B P2 O8'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.492
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.567
_cell_length_b                   10.29
_cell_length_c                   10.21
_cell_volume                     1319.052
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_371.cif
_cod_data_source_block           B1Na3O8P2
_cod_original_formula_sum        'B1 Na3 O8 P2'
_cod_database_code               1511252
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
Na2 Na+1 0.0902 0.61519 0.88102 1 0.0
O7 O-2 0.28159 0.59791 0.59411 1 0.0
Na3 Na+1 0 0.95724 0.75 1 0.0
O3 O-2 0.13461 0.99555 1.08728 1 0.0
P1 P+5 0.08654 0.8592 1.0427 1 0.0
O8 O-2 0.1294 0.59822 0.42206 1 0.0
O6 O-2 0.09924 0.55835 0.66321 1 0.0
O1 O-2 -0.03384 0.87577 1.08071 1 0.0
O5 O-2 0.15012 0.77984 0.59025 1 0.0
P2 P+5 0.1604 0.62927 0.56203 1 0.0
Na1 Na+1 0.25298 0.88976 0.76766 1 0.0
B1 B+3 -0.1335 0.8882 1.0019 1 0.0
Na4 Na+1 0 0.65172 1.25 1 0.0
O4 O-2 0.13381 0.7531 1.12575 1 0.0
O2 O-2 0.0958 0.83934 0.89781 1 0.0
