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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/7/11/74/7117432.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_7117432
loop_
_publ_author_name
'Henry, P.F.'
'Hughes, R.W.'
'Weller, M.T.'
'Ward, S.C.'
_publ_section_title
;
 Rb Cu P O4 - a maximum copper tetrahedral framework adopting the zeotype
 ABW structure
;
_journal_name_full               'Chemical Communications'
_journal_page_first              1959
_journal_page_last               1960
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'Cu O4 P Rb'
_chemical_name_systematic        'Rb (Cu 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                   8.5261
_cell_length_b                   5.3562
_cell_length_c                   8.9064
_cell_volume                     406.733
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Henry_CHCOFS_2000_988.cif
_cod_data_source_block           Cu1O4P1Rb1
_cod_original_sg_symbol_Hall     'P 2c -2n (y,z,x)'
_cod_original_formula_sum        'Cu1 O4 P1 Rb1'
_cod_database_code               7117432
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
O4 O-2 0.2302 0.8645 0.2249 1 0.0
O1 O-2 0.1419 0.028 0.0294 1 0.0
O3 O-2 0.0534 0.2262 0.2667 1 0.0
P1 P+5 0.0791 -0.0146 0.1837 1 0.0
O2 O-2 -0.0621 0.8231 0.1682 1 0.0
Cu1 Cu+2 0.414 -0.0303 0.3268 1 0.0
Rb1 Rb+1 0.1768 0.4719 0.5199 1 0.0
