#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/73/9017341.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_9017341
loop_
_publ_author_name
'Lightfoot, P.'
'Cheetham, A. K.'
_publ_section_title
;
 Structure of manganese(II) trisodium tripolyphosphate dodecahydrate
 Locaality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              4
_journal_page_last               7
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'H24 Mn Na3 O22 P3'
_chemical_name_mineral           Kanonerovite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.87
_cell_angle_gamma                90
_cell_length_a                   14.763
_cell_length_b                   9.325
_cell_length_c                   15.140
_cell_formula_units_Z            4
_cell_volume                     2084.242
_database_code_amcsd             0020872
_exptl_crystal_density_diffrn    1.890
_cod_data_source_file            inputs/fixed/downloads/11/11684.cif
_cod_data_source_block           11684
_cod_original_formula_sum        'Mn P3 Na3 O22 H24'
_cod_database_code               9017341
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
Mn1 0.25136 0.04405 0.81774
P1 0.39221 0.27660 0.91092
P2 0.09508 0.26970 0.90466
P3 0.24157 0.15500 0.01758
Na1 -0.14380 0.46420 0.70920
Na2 0.11340 0.19440 0.19990
Na3 -0.75340 0.26420 0.56280
O1 0.35780 0.19680 0.83000
O2 0.25090 0.02200 0.96320
O3 0.14290 -0.36660 0.01650
O4 0.09530 0.43080 0.89620
O5 0.14770 0.36350 0.67870
O6 0.40230 0.43550 0.89380
O7 -0.01300 0.60500 0.78540
O8 0.24910 0.54970 0.82620
O9 0.00590 0.08290 0.10480
O10 0.14560 0.19700 0.83000
O11 0.62910 0.35010 0.98390
O12 -0.15660 0.13940 0.17900
O13 0.47390 0.20560 0.95030
O14 0.31260 0.27100 0.98470
O15 0.24570 0.14570 0.11480
O16 0.00210 0.20720 0.92190
O17 0.14920 0.23350 0.99600
O18 -0.01820 0.43710 0.60920
O19 0.06810 0.01430 0.31090
O20 0.22350 -0.52870 0.15710
O21 0.19620 0.29550 0.32350
O22 0.11940 -0.23500 0.22160
H1 0.02000 0.53800 0.82100
H2 0.26200 0.29600 0.32400
H3 0.08300 -0.21300 0.17300
H4 0.57600 0.29600 0.96700
H5 -0.10200 0.13200 0.14800
H6 0.17600 0.22700 0.36700
H7 0.19400 -0.48700 0.10800
H8 0.11800 -0.43500 -0.02400
H9 0.13300 0.32000 0.73200
H10 0.60800 0.42300 0.02000
H11 0.10300 -0.17000 0.26500
H12 0.40700 0.17900 0.46100
H13 0.85500 0.18500 0.23200
H14 0.29600 0.49700 0.85200
H15 0.09300 0.39200 0.65300
H16 0.19400 0.51500 0.84800
H17 0.00400 0.00700 0.32500
H18 0.01000 0.11400 0.04500
H19 0.78100 0.08000 0.63700
H20 0.02200 0.62000 0.73300
H21 0.97700 0.01400 0.89200
H22 -0.02600 0.38300 0.55800
H23 -0.00600 0.53200 0.59100
H24 0.09500 0.03200 0.36700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020872
