#------------------------------------------------------------------------------
#$Date: 2015-07-12 21:03:09 +0300 (Sun, 12 Jul 2015) $
#$Revision: 148089 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/68/1526837.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_1526837
loop_
_publ_author_name
'Leclaire, A.'
'Marsh, R.E.'
'Borel, M.M.'
'Guesdon, A.'
_publ_section_title
;
 Revised space groups for three molybdenum(V) phosphate compounds
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              7
_journal_page_last               9
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'Mo4 O22 P4 Rb3'
_chemical_name_systematic        'Rb3 O2 (Mo O)4 (P O4)4'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.057
_cell_length_b                   10.057
_cell_length_c                   19.227
_cell_volume                     1944.681
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Leclaire_JSSCBI_2001_1599.cif
_cod_data_source_block           Mo4O22P4Rb3
_cod_database_code               1526837
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-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
O9 O-2 0.3544 0.7464 0.1137 1 0.0
Rb2 Rb+1 0.2918 0.7082 0.25 1 0.0
O2 O-2 0.121 0.4772 0.0368 1 0.0
O5 O-2 0.8281 0.2663 0.1074 1 0.0
Mo2 Mo+5 0.2446 0.6056 0.0637 1 0.0
O4 O-2 0.8604 0.4518 -0.0096 1 0.0
O6 O-2 -0.0906 0.5154 0.1274 1 0.0
Mo1 Mo+5 -0.0162 0.3643 0.0603 1 0.0
O11 O-2 0.0951 0.684 0.1376 1 0.0
O8 O-2 0.1574 0.7403 0.0003 1 0.0
P2 P+5 -0.0446 0.6455 0.16 1 0.0
O3 O-2 0.097 0.3166 0.1448 1 0.0
Rb1 Rb+1 0.6123 0.4948 0.1265 1 0.0
O10 O-2 0.2922 0.4814 0.1466 1 0.0
O7 O-2 0.3726 0.5652 0.0128 1 0.0
P1 P+5 0.2387 0.3443 0.1696 1 0.0
O1 O-2 0.0234 0.2294 0.0136 1 0.0
