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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/1/53/48/1534828.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_1534828
loop_
_publ_author_name
'Lyakhov, A.S.'
'Palkina, K.K.'
'Prodan, L.I.'
'Lyutsko, V.A.'
_publ_section_title
;
 Crystal structure of lithium zinc triphosphate octahydrate
 LiZn2P3O10*8H2O
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1014
_journal_page_last               1018
_journal_volume                  27
_journal_year                    1991
_chemical_formula_sum            'H16 Li O18 P3 Zn2'
_chemical_name_systematic        'Li Zn2 P3 O10 (H2 O)8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.79
_cell_angle_beta                 113.42
_cell_angle_gamma                94.24
_cell_formula_units_Z            2
_cell_length_a                   10.305
_cell_length_b                   10.505
_cell_length_c                   8.671
_cell_volume                     830.495
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Lyakhov_IVNMAW_1991_1132.cif
_cod_data_source_block           H16Li1O18P3Zn2
_cod_original_cell_volume        830.4955
_cod_original_formula_sum        'H16 Li1 O18 P3 Zn2'
_cod_database_code               1534828
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
Zn2 Zn+2 0 0 0 1 0.0
P2 P+5 0.28173 0.22986 0.2689 1 0.0
Zn1 Zn+2 0.5 0.5 0.5 1 0.0
O13 O-2 0.782 0.6692 0.2773 1 0.0
O8 O-2 0.3631 -0.0331 0.0279 1 0.0
O10 O-2 0.3362 0.1184 -0.1684 1 0.0
O16 O-2 0.9356 0.1173 0.5691 1 0.0
P1 P+5 0.56083 0.20131 0.52359 1 0.0
Li1 Li+1 0.014 0.295 0.577 1 0.0
O15 O-2 0.9076 0.4262 0.6501 1 0.0
O4 O-2 0.6221 0.1103 0.4223 1 0.0
O2 O-2 0.3875 0.1646 0.4099 1 0.0
O14 O-2 -0.019 0.3168 0.3439 1 0.0
O7 O-2 0.1343 0.1561 0.2133 1 0.0
O9 O-2 0.124 0.0304 -0.1259 1 0.0
O17 O-2 0.6889 0.2994 0.155 1 0.0
O18 O-2 0.2979 0.524 0.0346 1 0.0
P3 P+5 0.28365 0.07014 -0.0476 1 0.0
O3 O-2 0.5832 0.1714 0.6946 1 0.0
O1 O-2 0.6096 0.3443 0.5438 1 0.0
Zn3 Zn+2 0.47896 0.04811 0.76061 1 0.0
O11 O-2 0.5553 0.4979 0.2851 1 0.0
O5 O-2 0.3298 0.2001 0.1121 1 0.0
O12 O-2 0.8843 0.1447 0.8893 1 0.0
O6 O-2 0.3094 0.3752 0.3399 1 0.0
