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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/49/1534913.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1534913
loop_
_publ_author_name
'Simonov, M.A.'
'Karpov, O.G.'
'Dimitrova, O.V.'
'Strelkova, E.E.'
_publ_section_title
;
 Crystal structure of Na Zn (P2 O6 (O H))
;
_journal_name_full               Kristallografiya
_journal_page_first              1151
_journal_page_last               1154
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'H Na O7 P2 Zn'
_chemical_name_systematic        'Na Zn (P O3)2 (O H)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.11
_cell_angle_beta                 92.05
_cell_angle_gamma                66.87
_cell_formula_units_Z            2
_cell_length_a                   6.505
_cell_length_b                   6.668
_cell_length_c                   6.504
_cell_volume                     257.956
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Simonov_KRISAJ_1991_1191.cif
_cod_data_source_block           H1Na1O7P2Zn1
_cod_original_cell_volume        257.9565
_cod_original_formula_sum        'H1 Na1 O7 P2 Zn1'
_cod_database_code               1534913
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
P2 P+5 0.756 0.7191 0.3579 1 0.0
Zn1 Zn+2 0.218 0.3792 0.1469 1 0.0
O2 O-2 0.2268 0.7191 0.2114 1 0.0
P1 P+5 0.3334 0.8628 0.1216 1 0.0
O7 O-2 0.2748 0.3925 0.4621 1 0.0
O3 O-2 0.5136 0.8779 0.2888 1 0.0
O5 O-2 0.8815 0.8705 0.4118 1 0.0
O6 O-2 0.8646 0.5523 0.1718 1 0.0
O1 O-2 0.5476 0.2523 0.078 1 0.0
H1 H+1 0.98 0.89 0.47 1 0.0
O4 O-2 0.1652 0.0958 0.1145 1 0.0
Na1 Na+1 0.7852 0.2437 0.3533 1 0.0
