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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000092.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_9000092
loop_
_publ_author_name
'Evans, H. T.'
'Mrose, M. E.'
_publ_section_title
;A crystal chemical study of the vanadium oxide minerals, haggite and
 doloresite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1166
_journal_volume                  45
_journal_year                    1960
_chemical_formula_sum            'O8 V3'
_chemical_name_mineral           Doloresite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.92
_cell_angle_gamma                90
_cell_length_a                   19.64
_cell_length_b                   2.99
_cell_length_c                   4.83
_cell_volume                     275.305
_exptl_crystal_density_diffrn    3.388
_[local]_cod_chemical_formula_sum_orig 'V3 O8'
_cod_database_code               9000092
_amcsd_database_code             AMCSD#0000094
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V1 0.00000 0.00000 0.50000 0.02862
V2 0.17660 0.00000 0.36800 0.03078
O1 0.47000 0.00000 0.24800 0.06928
O2 0.09500 0.00000 0.42700 0.12880
O3 0.66500 0.00000 0.09500 0.06548
O4 0.28600 0.00000 0.36200 0.05459