#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/52/9015292.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_9015292
loop_
_publ_author_name
'Tordjman, I.'
'Durif, A.'
'Guitel, J. C.'
_publ_section_title
;
 Structure cristalline du trimetaphosphate de strontium heptahydrate
 Sr3(P3O9)2(H2O)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              205
_journal_page_last               208
_journal_paper_doi               10.1107/S0567740876002604
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'O25 P6 Sr3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_length_a                   16.05
_cell_length_b                   12.33
_cell_length_c                   10.87
_cell_formula_units_Z            4
_cell_volume                     2151.135
_database_code_amcsd             0009549
_exptl_crystal_density_diffrn    2.621
_cod_duplicate_entry             1007000
_cod_original_formula_sum        'Sr3 P6 O25'
_cod_database_code               9015292
_amcsd_formula_title             Sr3(P3O9)2(H2O)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-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
Sr1 0.10283 0.25000 0.11589 0
Sr2 0.33160 0.25000 -0.00255 0
Sr3 0.50341 0.75000 0.25188 0
P1 0.28839 0.50401 0.47626 0
P2 0.12791 0.49174 0.34669 0
P3 0.13707 0.47083 0.61139 0
O1 0.22833 0.48032 0.36029 0
O2 0.09812 0.44314 0.47745 0
O3 0.23319 0.44623 0.58495 0
O4 0.36425 0.44167 0.45835 0
O5 0.29244 0.62123 0.49907 0
O6 0.09913 0.41854 0.24921 0
O7 0.10522 0.60765 0.34322 0
O8 0.10769 0.38986 0.70005 0
O9 0.12508 0.58680 0.63498 0
O10 0.47892 0.62443 0.44941 2
O11 0.45286 0.25000 0.29950 2
O12 -0.00142 0.25000 0.50055 2
O13 0.25168 0.25000 0.23005 2
O14 0.25168 0.75000 0.27945 2
O15 0.13004 0.75000 0.10597 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009549
