#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/42/9004207.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_9004207
loop_
_publ_author_name
'Merlino, S.'
'Orlandi, P.'
'Perchiazzi, N.'
'Basso, R.'
'Palenzona, A.'
_publ_section_title
;
 Polytypism in stibivanite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              625
_journal_page_last               632
_journal_volume                  27
_journal_year                    1989
_chemical_formula_sum            'O5 Sb2 V'
_chemical_name_mineral           Stibivanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.916
_cell_length_b                   4.790
_cell_length_c                   5.509
_cell_formula_units_Z            4
_cell_volume                     472.769
_database_code_amcsd             0005232
_exptl_crystal_density_diffrn    5.261
_cod_original_formula_sum        'Sb2 V O5'
_cod_database_code               9004207
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb 0.01130 0.01070 0.01070 0.00080 -0.00030 -0.00070
V 0.01070 0.01510 0.00860 0.00000 0.00000 0.00040
O1 0.03090 0.01650 0.02450 0.00000 0.00000 0.00510
O2 0.00750 0.01420 0.00980 -0.00190 0.00140 -0.00080
O3 0.01310 0.02090 0.00910 0.00190 0.00350 0.00190
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb -0.08889 0.46995 0.17640
V -0.25000 0.12246 0.32504
O1 -0.25000 -0.21343 0.34081
O2 -0.17787 0.24051 0.07425
O3 -0.04311 0.16118 0.36597
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005232
