#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/40/9004057.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_9004057
loop_
_publ_author_name
'Trotter, J.'
'Barnes, W. H.'
_publ_section_title
;
 The structure of vanadinite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              161
_journal_page_last               173
_journal_volume                  6
_journal_year                    1958
_chemical_formula_sum            'Cl O12 Pb5 V3'
_chemical_name_mineral           Vanadinite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.331
_cell_length_b                   10.331
_cell_length_c                   7.343
_cell_formula_units_Z            2
_cell_volume                     678.717
_database_code_amcsd             0005076
_exptl_crystal_density_diffrn    6.930
_cod_original_formula_sum        'Pb5 V3 Cl O12'
_cod_database_code               9004057
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+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
Pb1 0.33333 0.66667 0.00540 0.01900
Pb2 0.25580 0.01070 0.25000 0.01900
V 0.40460 0.37870 0.25000 0.01900
Cl 0.00000 0.00000 0.00000 0.01900
O1 0.33090 0.50050 0.25000 0.03293
O2 0.60060 0.46040 0.25000 0.03293
O3 0.38120 0.28730 0.04630 0.03293
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005076
