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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000068.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_9000068
loop_
_publ_author_name
'Donaldson, D. M.'
'Barnes, W. H.'
_publ_section_title
;
 The structures of the minerals of the descloizite and adelite groups: II -
 pyrobelonite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              580
_journal_page_last               596
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'H Mn O7 Pb V'
_chemical_name_mineral           Pyrobelonite
_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                   7.663
_cell_length_b                   6.191
_cell_length_c                   9.522
_cell_volume                     451.739
_exptl_crystal_density_diffrn    6.265
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_70'
_[local]_cod_chemical_formula_sum_orig 'Pb Mn V O7 H'
_cod_database_code               9000068
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
Pb 0.13410 0.25000 0.17760 0.01267
Mn 0.00000 0.00000 0.50000 0.00760
V 0.36540 0.75000 0.31280 0.01013
O1 0.18400 0.75000 0.43700 ?
O2 0.54000 0.75000 0.40800 ?
O3 0.37100 0.51300 0.20900 ?
O4 0.37100 0.98700 0.20900 ?
O-H 0.13900 0.25000 0.41700 ?