data_global
_chemical_name_mineral 'Rossite'
loop_
_publ_author_name
'Ahmed F R'
'Barnes W H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 7 
_journal_year 1963
_journal_page_first 713
_journal_page_last 726
_publ_section_title
;
 The crystal structure of rossite
;
_database_code_amcsd 0005081
_chemical_compound_source 'Dolores River, Colorado, USA'
_chemical_formula_sum 'Ca V2 O10 H8'
_cell_length_a 8.534
_cell_length_b 8.556
_cell_length_c 7.015
_cell_angle_alpha 101.53
_cell_angle_beta 114.97
_cell_angle_gamma 103.38
_cell_volume 425.242
_exptl_crystal_density_diffrn      2.421
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Ca   0.83900   0.15030   0.99270   0.01013
V1   0.43580   0.33280   0.80020   0.00912
V2   0.37830   0.33660   0.27560   0.00912
O1   0.47200   0.41420   0.09920   0.00849
O2   0.49670   0.38350   0.58330   0.01229
Wat3   0.80420   0.27310   0.69760   0.02267
O4   0.16250   0.32070   0.17850   0.01811
O5   0.21190   0.23150   0.65760   0.02115
O6   0.53570   0.19030   0.84340   0.01811
O7   0.37410   0.13850   0.19840   0.01621
Wat8   0.98480   0.01080   0.77750   0.01621
Wat9   0.71950   0.11620   0.25330   0.02115
Wat10   0.89480   0.43980   0.20720   0.04154