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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007989.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_9007989
loop_
_publ_author_name
'Wu, W. Y.'
'Liang, X. Q.'
'Li, Y. Z.'
_publ_section_title
;
 CoZn2(PO4)2*4H2O, a cobalt-doped modification of hopeite
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i105
_journal_page_last               i107
_journal_paper_doi               10.1107/S1600536805014078
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     CoZn2(PO4)2*4H2O
_chemical_formula_sum            'Co H8 O12 P2 Zn2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.568
_cell_length_b                   18.258
_cell_length_c                   5.025
_cell_formula_units_Z            4
_cell_volume                     969.576
_database_code_amcsd             0010447
_exptl_crystal_density_diffrn    3.095
_cod_original_formula_sum        'Co Zn2 P2 O12 H8'
_cod_database_code               9007989
_amcsd_formula_title             CoZn2(PO4)2*4H2O
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co 0.76209 0.75000 0.43110 0.01130
Zn 0.14254 0.50072 0.20712 0.01369
P 0.89706 0.59435 0.27490 0.01170
O1 0.86020 0.67265 0.21540 0.02080
O2 0.02440 0.57866 0.14280 0.01910
O3 0.09980 0.42052 0.42980 0.02720
O4 0.19880 0.45965 -0.14080 0.01520
O1W 0.89360 0.75000 0.74130 0.01840
H1W 0.87240 0.78010 0.85380 0.02800
O2W 0.61590 0.75000 0.15160 0.02770
H2W 0.57140 0.78710 0.10970 0.04200
O3W 0.66430 0.66989 0.66450 0.02640
H3W1 0.65200 0.62630 0.56040 0.04000
H3W2 0.71350 0.65830 0.81990 0.04000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010447
