#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000070.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000070
loop_
_publ_author_name
'Evans H T'
'Mrose M E'
_publ_section_title
;
 A crystal chemical study of montroseite and paramontroseite.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              861
_journal_page_last               875
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'V O2 H'
_chemical_name_mineral           Montroseite
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.54
_cell_length_b                   9.97
_cell_length_c                   3.03
_cell_volume                     137.149
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-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
V -0.05170 0.14550 0.25000 0.00405
O-H1 0.30100 -0.19700 0.25000 0.00405
O2 -0.19800 -0.05400 0.25000 0.00405