#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007946.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_9007946
loop_
_publ_author_name
'Tahiri, A. A.'
'ouarsal R'
'Lachkar, M.'
'Zavalij, P. Y.'
'El Bali, B.'
_publ_section_title
;
 Dipotassium zinc bis(dihydrogendiphosphate) dihydrate, K2Zn(H2P2O7)2*2H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i50
_journal_page_last               i52
_journal_paper_doi               10.1107/S1600536803005440
_journal_volume                  59
_journal_year                    2003
_chemical_formula_structural     K2Zn(H2P2O7)2*2H2O
_chemical_formula_sum            'H8 K2 O16 P4 Zn'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.753
_cell_angle_beta                 72.547
_cell_angle_gamma                83.442
_cell_length_a                   6.827
_cell_length_b                   7.333
_cell_length_c                   7.570
_cell_formula_units_Z            1
_cell_volume                     355.949
_database_code_amcsd             0010404
_exptl_crystal_density_diffrn    2.480
_cod_original_formula_sum        'K2 Zn O16 H8 P4'
_cod_database_code               9007946
_amcsd_formula_title             K2Zn(H2P2O7)2*2H2O
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K1 0.89203 0.26588 0.70406 0.03300
Zn1 0.50000 0.50000 0.50000 0.01720
O1W 0.54960 0.70840 0.26590 0.02490
H1W 0.61160 0.66200 0.17120 0.06000
H2W 0.59710 0.79500 0.27870 0.10000
P1 0.32331 0.27285 0.24797 0.01650
P2 0.75109 0.18972 0.24168 0.01570
O1 0.56230 0.23170 0.15280 0.02220
O2 0.29360 0.39260 0.39670 0.01890
O3 0.23760 0.34990 0.09070 0.02160
O4 0.23620 0.08150 0.33590 0.02460
H4 0.24920 0.05490 0.44140 0.10000
O5 0.74180 0.32760 0.37080 0.02230
O6 0.93030 0.21440 0.06150 0.02200
H6 0.01680 0.27380 0.07750 0.07000
O7 0.74670 -0.00920 0.33070 0.02570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010404
