#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014431.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_9014431
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
_publ_section_title
;
 Structure of diammonium disodium mercury(II) trimetaphosphate
 _cod_database_code 1007261
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              932
_journal_page_last               933
_journal_paper_doi               10.1107/S0108270186093952
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Hg N2 Na2 O18 P6'
_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                 92.58
_cell_angle_gamma                90
_cell_length_a                   13.524
_cell_length_b                   8.362
_cell_length_c                   14.390
_cell_formula_units_Z            4
_cell_volume                     1625.682
_database_code_amcsd             0015942
_exptl_crystal_density_diffrn    3.058
_cod_duplicate_entry             1007261
_cod_original_formula_sum        '(Hg Na2) N2 P6 O18'
_cod_database_code               9014431
_amcsd_formula_title             'H8 Hg N2 Na2 O18 P6'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg1 0.16170 0.14270 0.41480 0.33330
Hg2 0.00000 0.35450 0.25000 0.33330
Na1 0.16170 0.14270 0.41480 0.66670
Na2 0.00000 0.35450 0.25000 0.66670
N1 0.34890 0.12700 0.04060 1.00000
P1 0.08100 0.02630 0.11830 1.00000
P2 0.40380 0.18780 0.37190 1.00000
P3 0.27200 0.37340 0.25390 1.00000
O1 -0.00360 0.14460 0.36040 1.00000
O2 0.13710 0.04720 0.03200 1.00000
O3 0.46780 0.35120 0.38020 1.00000
O4 0.33500 0.18560 0.44970 1.00000
O5 0.47280 0.05280 0.36100 1.00000
O6 0.34170 0.21940 0.27580 1.00000
O7 0.18070 0.36000 0.30830 1.00000
O8 0.26290 0.39600 0.15190 1.00000
O9 0.34160 0.51860 0.29440 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015942
