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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532843.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_1532843
loop_
_publ_author_name
'Mahendra, M.'
'Doreswamy, B.H.'
'Madhu, S.P.'
'Sridhar, M.A.'
'Gopalakrishnan, G.S.'
'Prasad, J.S.'
'Ashamanjari, K.G.'
_publ_section_title
;
 Hydrothermal synthesis, crystal structure and characterisation of Na2 Zn
 P2 O7 * (H Cl)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1309
_journal_page_last               1317
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'Cl H Na O7 P2 Zn'
_chemical_name_systematic        '(Na2 Zn (P2 O7)) (H Cl)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.687
_cell_length_b                   7.687
_cell_length_c                   20.529
_cell_volume                     1213.058
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Mahendra_MRBUAC_2003_522.cif
_cod_data_source_block           Cl1H1Na1O7P2Zn1
_cod_original_formula_sum        'Cl1 H1 Na1 O7 P2 Zn1'
_cod_database_code               1532843
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-z+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
Na2 Na+1 0.36 0.36 0 1 0.0
H1 H+1 0.7841 0.6606 0.2806 1 0.0
Na1 Na+1 0.64 0.64 0 1 0.0
O7 O-2 0.425 0.805 0.1765 1 0.0
P1 P+5 0.8646 0.8631 0.10579 1 0.0
Cl1 Cl-1 0.698 0.6979 0.2498 1 0.0
O6 O-2 0.697 -0.081 0.0744 1 0.0
O2 O-2 0.8604 0.8684 0.1789 1 0.0
Zn1 Zn+2 0.5001 -0.00016 0.12488 1 0.0
O3 O-2 0.499 0.501 0.1715 1 0.0
O5 O-2 0.3017 0.083 0.0743 1 0.0
P2 P+5 0.3639 0.6368 0.14414 1 0.0
O1 O-2 0.3597 0.6305 0.0708 1 0.0
O4 O-2 0.925 0.695 0.074 1 0.0
