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#$Date: 2015-09-08 22:26:20 +0300 (Tue, 08 Sep 2015) $
#$Revision: 155303 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530239.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_1530239
loop_
_publ_author_name
'Lachgar, A.'
'Deniard-Courant, S.'
'Piffard, Y.'
_publ_section_title
;
 Adsorption and structural studies of water in the layered compounds K3
 Sb3 M2 O14 * x(H2 O) (M = P, As)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              572
_journal_page_last               576
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H2.64 K3 O15.32 P2 Sb3'
_chemical_name_systematic        'K3 (Sb3 P2 O14) (H2 O)1.32'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.147
_cell_length_b                   7.147
_cell_length_c                   30.936
_cell_volume                     1368.492
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lachgar_JSSCBI_1988_1612.cif
_cod_data_source_block           H2.64K3O15.32P2Sb3
_cod_database_code               1530239
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
K1 K+1 0 0 0.436 0.882 0.0
Sb1 Sb+5 0.5 0 0 1 0.0
K2 K+1 0 0 0.0522 0.618 0.0
O2 O-2 0.5488 -0.5488 0.0621 1 0.0
P1 P+5 0 0 0.25309 1 0.0
O3 O-2 0 0 0.205 1 0.0
O4 O-2 0.275 0 0.5 0.22 0.0
O1 O-2 0.4641 -0.4641 0.3174 1 0.0