#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Montroseite'
loop_
_publ_author_name
'Evans H T'
'Mrose M E'
_journal_name_full "American Mineralogist"
_journal_volume 40
_journal_year 1955
_journal_page_first 861
_journal_page_last 875
_publ_section_title
;
 A crystal chemical study of montroseite and paramontroseite.
;
_chemical_formula_sum 'V O2 H'
_cell_length_a 4.54
_cell_length_b 9.97
_cell_length_c 3.03
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 137.149
_symmetry_space_group_name_H-M 'P b n m'
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_Uiso_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