#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000091.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_9000091
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            'O5 V2'
_chemical_name_mineral           Haggite
_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                 98.25
_cell_angle_gamma                90
_cell_length_a                   12.17
_cell_length_b                   2.99
_cell_length_c                   4.83
_cell_formula_units_Z            2
_cell_volume                     173.937
_database_code_amcsd             0000094
_exptl_crystal_density_diffrn    3.473
_cod_original_formula_sum        'V2 O5'
_cod_database_code               9000091
loop_
_space_group_symop_operation_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
V 0.13780 0.00000 0.39670 0.05269
O1 0.00000 0.00000 0.50000 0.07434
O2 0.60940 0.00000 0.13300 0.06206
O3 0.30260 0.00000 0.34600 0.06510
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 10605728
2 AMCSD 0000094
