#------------------------------------------------------------------------------
#$Date: 2013-05-05 16:21:46 +0200 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/98/9009893.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_9009893
loop_
_publ_author_name
'Ruszala, F. A.'
'Anderson, J. B.'
'Kostiner, E.'
_publ_section_title
;Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and
 Mn5(PO4)2(OH)4 Locality: synthetic
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2417
_journal_page_last               2422
_journal_volume                  16
_journal_year                    1977
_chemical_formula_structural     Co5(OH)4(PO4)2
_chemical_formula_sum            'Co5 H4 O12 P2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.903
_cell_length_b                   17.3970
_cell_length_c                   5.5154
_cell_volume                     854.255
_exptl_crystal_density_diffrn    4.297
_[local]_cod_chemical_formula_sum_orig 'Co5 P2 O12 H4'
_cod_database_code               9009893
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Co1 0.37720 0.12597 0.44630 0.00469
Co2 0.38150 0.03206 0.95330 0.00494
Co3 0.35660 0.22173 0.93090 0.00507
Co4 0.74960 0.93130 0.76710 0.00557
Co5 0.50660 0.82190 0.08640 0.00583
P1 0.68010 0.12030 0.81060 0.00304
P2 0.42930 0.87180 0.62500 0.00329
O1 0.74220 0.85820 0.06790 0.00545
O2 0.50760 0.12270 0.77880 0.00519
O3 0.72770 0.17350 0.02130 0.00709
O4 0.72730 0.03990 0.89660 0.00595
O5 0.25570 0.87310 0.62030 0.00469
O6 0.49720 0.92930 0.81100 0.00849
O7 0.48430 0.89050 0.37110 0.00633
O8 0.48150 0.79280 0.72200 0.00697
O-H9 0.46660 0.21990 0.25310 0.00646
O-H10 0.26150 0.79720 0.12150 0.00659
O-H11 0.25760 0.04120 0.63850 0.00545
O-H12 0.51590 0.05120 0.26750 0.00583