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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107409.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107409
loop_
_publ_author_name
'Martin, C.'
'Mitschler, A.'
_publ_section_title
;
 Structure cristalline du trimetaphosphate de baryum sodium Ba Na P3 O9
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2348
_journal_page_last               2352
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Ba Na O9 P3'
_chemical_name_systematic        'Ba Na (P3 O9)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.055
_cell_length_b                   12.278
_cell_length_c                   5.785
_cell_volume                     785.217
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Martin_ACBCAR_1972_304.cif
_cod_data_source_block           Ba1Na1O9P3
_cod_original_cell_volume        785.2171
_cod_original_formula_sum        'Ba1 Na1 O9 P3'
_cod_database_code               2107409
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
Na1 Na+1 0.47643 0.13571 0.1016 1 0.0
O2 O-2 0.1804 0.26217 0.5799 1 0.0
P3 P+5 0.15261 0.35757 0.39566 1 0.0
O6 O-2 0.30272 0.11538 0.3832 1 0.0
P1 P+5 0.41337 0.37096 0.38484 1 0.0
O5 O-2 0.44052 0.31929 0.1548 1 0.0
O3 O-2 0.40432 0.27687 0.585 1 0.0
O4 O-2 0.49922 0.4522 0.4784 1 0.0
P2 P+5 0.29921 0.18628 0.59047 1 0.0
O1 O-2 0.27942 0.42092 0.3886 1 0.0
Ba1 Ba+2 0.10795 0.08074 0.09851 1 0.0
O8 O-2 0.12975 0.30633 0.1622 1 0.0
O7 O-2 0.30708 0.13062 0.82 1 0.0
O9 O-2 0.06234 0.43027 0.5069 1 0.0
