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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015013.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015013
loop_
_publ_author_name
'Durif, A.'
'Marin, C.'
'Bassi, G.'
_publ_section_title
;
 Donnees cristallographiques sur Ba(NH4)P3O9(H2O) et BaTlP3O9(H2O).
 Structure cristalline de Ba(NH4)P3O9(H2O)
 _cod_database_code 1007034
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              19
_journal_page_last               24
_journal_volume                  98
_journal_year                    1975
_chemical_formula_sum            'Ba N O10 P3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.05
_cell_angle_gamma                90
_cell_length_a                   11.70
_cell_length_b                   12.12
_cell_length_c                   7.559
_cell_formula_units_Z            4
_cell_volume                     1052.024
_database_code_amcsd             0012140
_exptl_crystal_density_diffrn    2.552
_cod_duplicate_entry             1007034
_cod_original_formula_sum        'Ba P3 O10 N'
_cod_database_code               9015013
_amcsd_formula_title             Ba(NH4)P3O9(H2O)
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Ba1 0.12532 0.07340 0.24255 0
P1 0.07915 0.17346 0.74102 0
P2 0.42690 0.13871 0.24957 0
P3 0.14876 0.34727 -0.00273 0
O1 0.04103 0.40992 0.87519 0
O2 0.17390 0.25283 0.86072 0
O3 0.48118 0.24039 0.15609 0
O4 0.13103 0.12985 0.59375 0
O5 0.03118 0.09834 0.86435 0
O6 0.34433 0.17607 0.35837 0
O7 0.38530 0.05480 0.10854 0
O8 0.10995 0.29545 0.15333 0
O9 0.24853 0.42434 0.02559 0
O10 0.40345 0.36649 0.78512 2
N1 0.39001 0.13193 0.75624 4
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012140
