#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528172.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_1528172
loop_
_publ_author_name
'Walitzi, E.M.'
_publ_section_title
;
 Strukturverfeinerung von Libethenit Cu2 (O H) (P O4)
;
_journal_name_full
;
Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)
;
_journal_page_first              614
_journal_page_last               624
_journal_volume                  8
_journal_year                    1963
_chemical_formula_sum            'Cu2 H O5 P'
_chemical_name_systematic        'Cu2 (P O4) (O H)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.11
_cell_length_b                   8.47
_cell_length_c                   5.92
_cell_volume                     406.655
_citation_journal_id_ASTM        MPMTAG
_cod_data_source_file            Walitzi_MPMTAG_1963_1689.cif
_cod_data_source_block           H1Cu2O5P1
_cod_original_cell_volume        406.6549
_cod_original_formula_sum        'H1 Cu2 O5 P1'
_cod_database_code               1528172
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
O1 O-2 0.121 0.11 0 1 0.0
Cu1 Cu+2 0 0.5 0.25 1 0.0
Cu2 Cu+2 0.362 0.124 0 1 0.0
O2 O-2 0.154 0.083 0.5 1 0.0
O3 O-2 0.107 0.381 0.5 1 0.0
O4 O-2 0.343 0.263 0.286 1 0.0
P1 P+5 0.247 0.251 0.5 1 0.0
