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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536139.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_1536139
loop_
_publ_author_name
'Correll, S.'
'Sedlmaier, S.'
'Schnick, W.'
_publ_section_title
;
 Synthesis, crystal structures and properties of the trimetaphosphimates
 Na Ba (P O2 N H)3, K Sr (P O2 N H)3 4(H2 O) and N H4 Sr (P O2 N H)3 4(H2
 O)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1261
_journal_page_last               1271
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Ba H3 N3 Na O6 P3'
_chemical_name_systematic        'Na Ba (P O2 N H)3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.18
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.845
_cell_length_b                   10.25
_cell_length_c                   7.9624
_cell_volume                     801.003
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Correll_SSSCFJ_2005_2000.cif
_cod_data_source_block           H3Ba1N3Na1O6P3
_cod_original_cell_volume        801.0033
_cod_original_formula_sum        'H3 Ba1 N3 Na1 O6 P3'
_cod_database_code               1536139
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
P2 P+5 0.20883 0.14291 0.24357 1 0.0
O4 O-2 0.1241 0.2456 0.2739 1 0.0
Ba1 Ba+2 0.42981 0 0.69386 1 0.0
N2 N-3 0.166 0 0.309 1 0.0
H1 H+1 0.1072 0.1869 0.9426 1 0.0
O3 O-2 0.3618 0.1499 0.3416 1 0.0
H2 H+1 0.08 0 0.3007 1 0.0
O2 O-2 0.3533 0 0.9767 1 0.0
P1 P+5 0.20233 0 0.91816 1 0.0
N1 N-3 0.1611 0.1281 1.0136 1 0.0
O1 O-2 0.1151 0 0.7141 1 0.0
Na1 Na+1 0.5 -0.3242 0.5 1 0.0
