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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000547.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000547
loop_
_publ_author_name
'Anderson, J. B.'
'Shoemaker, G. L.'
'Kostiner, E.'
'Ruszala, F. A.'
_publ_section_title
;
 The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of
 pseudomalachite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              115
_journal_page_last               121
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Cu5 O12 P2'
_chemical_name_mineral           Reichenbachite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.31
_cell_angle_gamma                90
_cell_length_a                   9.186
_cell_length_b                   10.684
_cell_length_c                   4.461
_cell_formula_units_Z            2
_cell_volume                     437.461
_database_code_amcsd             0000558
_exptl_crystal_density_diffrn    4.340
_cod_original_formula_sum        'Cu5 P2 O12'
_cod_database_code               9000547
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.00000 0.00000 0.00000
Cu2 0.36470 0.07582 0.02040
Cu3 0.13548 0.26393 0.03540
P 0.38740 0.29890 0.47930
O1 -0.00230 0.12820 0.29970
O2 0.29320 0.21550 0.25600
O3 0.28960 0.38260 0.65700
O4 0.47250 0.20510 0.68340
O5 0.07240 0.42020 0.16250
O6 0.16870 0.08900 -0.16460
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000558
