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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/05/1530595.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_1530595
loop_
_publ_author_name
'Piret, P.'
'Deliens, M.'
'Piret-Meunier, J.'
_publ_section_title
;
 Occurrence and Crystal Structure of Kipushite, a New Copper-Zinc
 Phosphate from Kipushi, Zaire
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              35
_journal_page_last               42
_journal_volume                  23
_journal_year                    1985
_chemical_formula_sum            'Cu5 H8 O15 P2 Zn'
_chemical_name_systematic        'Cu5 Zn (O H)6 (H2 O) (P O4)2'
_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                 96.77
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.197
_cell_length_b                   9.156
_cell_length_c                   10.667
_cell_volume                     1182.939
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Piret_CAMIA6_1985_1193.cif
_cod_data_source_block           H8Cu5O15P2Zn1
_cod_original_formula_sum        'H8 Cu5 O15 P2 Zn1'
_cod_database_code               1530595
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+5 0.0434 0.2771 0.1029 1 0.0
O11 O-2 0.1792 0.5953 0.5893 1 0.0
P2 P+5 0.4287 0.0872 0.201 1 0.0
O1 O-2 0.2483 0.432 0.3416 1 0.0
O15 O-2 -0.0266 0.1764 0.1749 1 0.0
O2 O-2 0.4462 0.5771 0.2957 1 0.0
Cu2 Cu+2 0.2745 0.266 0.4613 1 0.0
Cu1 Cu+2 0.3307 0.414 0.1945 1 0.0
O10 O-2 0.412 0.7286 0.5515 1 0.0
Cu3 Cu+2 0.328 0.5854 0.4483 1 0.0
Cu5 Cu+2 0.3118 0.9349 0.4345 1 0.0
O7 O-2 0.3755 0.4146 0.5608 1 0.0
O6 O-2 0.3937 0.2287 0.263 1 0.0
Cu4 Cu+2 0.3259 0.7639 0.1937 1 0.0
O3 O-2 0.2541 0.5889 0.1052 1 0.0
Zn1 Zn+2 0.0316 0.0943 0.3355 1 0.0
O14 O-2 -0.0221 0.2983 -0.029 1 0.0
O9 O-2 0.2547 0.7533 0.3492 1 0.0
O4 O-2 0.3821 0.3929 0.0266 1 0.0
O13 O-2 0.059 0.4239 0.1707 1 0.0
O8 O-2 0.1927 0.1114 0.3572 1 0.0
O12 O-2 0.3869 -0.0445 0.2735 1 0.0
O5 O-2 0.1568 0.209 0.095 1 0.0
