#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# 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_9012092
loop_
_publ_author_name
'Kawahara, A.'
'Takano, Y.'
'Takahashi, M.'
_publ_section_title
;
 The structure of hopeite
 Locality: synthetic
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              289
_journal_page_last               297
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'H8 O12 P2 Zn3'
_chemical_name_mineral           Hopeite
_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                   10.553
_cell_length_b                   18.199
_cell_length_c                   5.031
_cell_volume                     966.224
_[local]_cod_data_source_file    11900.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Zn3 P2 O12 H8'
loop_
_symmetry_equiv_pos_as_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
Zn1 0.26384 0.25000 0.42770 0.01368
Zn2 0.14295 0.00072 0.29340 0.01102
P 0.39705 0.09448 0.27510 0.01102
O1 0.30280 0.04110 0.13180 0.01292
O2 0.52520 0.07850 0.13340 0.01811
O3 0.36110 0.17280 0.21330 0.02064
O4 0.39940 0.08070 0.56910 0.02546
Wat5 0.16330 0.16900 0.66020 0.02508
Wat6 0.39220 0.25000 0.74090 0.02368
Wat7 0.11360 0.25000 0.15650 0.02672