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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/1/52/61/1526107.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_1526107
loop_
_publ_author_name
'Naili, H.'
'Mhiri, T.'
'Daoud, A.'
_publ_section_title
;
 Crystal structure characterisation and vibrational study of a mixed
 compound Cs0.4 Rb0.6 H2 P O4
;
_journal_name_full               'Phase Transition'
_journal_page_first              271
_journal_page_last               286
_journal_volume                  71
_journal_year                    2000
_chemical_formula_sum            'Cs0.4 H2 O4 P Rb0.6'
_chemical_name_systematic        '(Cs0.4 Rb0.6) (H2 P O4)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8183
_cell_length_b                   6.2671
_cell_length_c                   7.762
_cell_volume                     222.585
_citation_journal_id_ASTM        PHTRDP
_cod_data_source_file            Naili_PHTRDP_2000_386.cif
_cod_data_source_block           H2Cs0.4O4P1Rb0.6
_cod_original_cell_volume        222.5846
_cod_original_formula_sum        'H2 Cs0.4 O4 P1 Rb0.6'
_cod_database_code               1526107
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
P1 P+5 0.5317 0.75 0.2412 1 0.0
H1 H+1 0.1991 0.75 0.3587 1 0.0
O1 O-2 0.3905 0.75 0.3973 1 0.0
Rb1 Rb+1 0.04664 0.25 0.26399 0.6 0.0
O2 O-2 0.8502 0.75 0.3286 1 0.0
O3 O-2 0.4169 0.9475 0.1279 1 0.0
Cs1 Cs+1 0.04664 0.25 0.26399 0.4 0.0
H2 H+1 0.48 0.9969 0.0146 0.5 0.0
