#------------------------------------------------------------------------------
#$Date: 2015-10-09 12:53:17 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161706 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/47/1534739.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_1534739
loop_
_publ_author_name
'Lueer, B.'
'Jansen, M.'
_publ_section_title
;
 Darstellung und Kristallstrukturen von
 Alkalimetallcyclohexaphosphaten(III) (6P-P)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               63
_journal_volume                  601
_journal_year                    1991
_chemical_formula_sum            'H12 O18 P6 Rb6'
_chemical_name_systematic        '(Rb P O2)6 (H2 O)6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.35
_cell_length_b                   18.281
_cell_length_c                   9.133
_cell_volume                     1215.776
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lueer_ZAACAB_1991_65.cif
_cod_data_source_block           H12O18P6Rb6
_cod_database_code               1534739
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
P1 P+3 0.532 0.58522 0.6598 1 0.0
O2 O-2 0.3505 0.5826 0.7165 1 0.0
P2 P+3 0.4847 0.60945 0.4195 1 0.0
O8 O-2 0.0157 0.379 0.0846 1 0.0
Rb2 Rb+1 -0.01543 0.37879 0.44756 1 0.0
O5 O-2 0.1399 0.5166 0.3447 1 0.0
Rb1 Rb+1 0.19139 0.47256 0.86578 1 0.0
O3 O-2 0.3581 0.6751 0.4015 1 0.0
O4 O-2 0.6679 0.6161 0.3653 1 0.0
O6 O-2 0.3414 0.538 0.1368 1 0.0
O7 O-2 0.2619 0.284 0.8307 1 0.0
Rb3 Rb+1 0.3876 0.67494 0.97386 1 0.0
O1 O-2 0.6679 0.6422 0.7279 1 0.0
P3 P+3 0.3257 0.5211 0.295 1 0.0
O9 O-2 0.1091 0.7207 0.1648 1 0.0
