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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107189.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107189
loop_
_publ_author_name
'Takagi, S.'
'Brown, W.E.'
'Mathew, M.'
_publ_section_title
;
 The Structure of Sodium Strontium Phosphate Nonahydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1408
_journal_page_last               1413
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'H18 Na O13 P Sr'
_chemical_name_systematic        'Na Sr P O4 (H2 O)9'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.544
_cell_length_b                   10.544
_cell_length_c                   10.544
_cell_volume                     1172.239
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Takagi_ACBCAR_1982_1712.cif
_cod_data_source_block           H18Na1O13P1Sr1
_cod_original_formula_sum        'H18 Na1 O13 P1 Sr1'
_cod_database_code               2107189
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
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
H6 H+1 0.197 0.216 0.429 1 0.0
H3 H+1 0.056 0.053 0.705 1 0.0
Na1 Na+1 0.1767 0.1767 0.1767 1 0.0
Sr1 Sr+2 0.5532 0.5532 0.5532 1 0.0
H2 H+1 0.318 0.069 0.687 1 0.0
P1 P+5 0.9243 0.9243 0.9243 1 0.0
O7 O-2 0.2081 0.1485 0.4004 1 0.0
O2 O-2 0.059 0.3628 0.4465 0.5 0.0
H4 H+1 0.09 0.163 0.675 1 0.0
H1 H+1 0.414 0.057 0.66 1 0.0
H5 H+1 0.294 0.129 0.403 1 0.0
O1 O-2 0.8426 0.8426 0.8426 1 0.0
O4 O-2 0.1809 0.3971 0.4814 0.21 0.0
O5 O-2 0.3674 0.0456 0.7088 1 0.0
O6 O-2 0.1012 0.0808 0.6517 1 0.0
O3 O-2 0.1187 0.4703 0.4499 0.29 0.0
