#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/35/4343572.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_4343572
loop_
_publ_author_name
'Henry, P.F.'
'Hughes, R.W.'
'Weller, M.T.'
_publ_section_title
;
 Nikel phosphate based zeotype, Rb Ni P O4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5420
_journal_page_last               5421
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Ni O4 P Rb'
_chemical_name_systematic        'Rb (Ni P O4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.28673
_cell_length_b                   5.08216
_cell_length_c                   8.93493
_cell_volume                     421.699
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Henry_INOCAJ_2000_1129.cif
_cod_data_source_block           Ni1O4P1Rb1
_cod_original_cell_volume        421.6987
_cod_original_sg_symbol_Hall     'P 2c -2n (y,z,x)'
_cod_original_formula_sum        'Ni1 O4 P1 Rb1'
_cod_database_code               4343572
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
x+1/2,y+1/2,-z+1/2
-x+1/2,y,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
O5 O-2 0.2723 0.7836 0.2268 0.545 0.0
O7 O-2 0.1679 0.8405 0.03221 0.369 0.0
O3 O-2 0.4622 0.2639 0.3039 0.177 0.0
O1 O-2 0.09003 0.1476 0.21346 1 0.0
O4 O-2 0.2449 0.7836 0.2921 0.455 0.0
O2 O-2 0.0076 0.6847 0.286 0.823 0.0
Ni1 Ni+2 0.43955 0.8945 0.34437 1 0.0
P1 P+5 0.11693 0.8558 0.19489 1 0.0
Rb1 Rb+1 0.18516 0.366 0.49991 1 0.0
O6 O-2 0.0694 0.7314 0.04293 0.631 0.0
