#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001967.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_9001967
loop_
_publ_author_name
'Medrano, M. D.'
'Evans, H. T.'
'Wenk, H. R.'
'Piper, D. Z.'
_publ_section_title
;
 Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type
 structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              889
_journal_page_last               895
_journal_volume                  83
_journal_year                    1998
_chemical_compound_source
'Monsanto's Enoch Valley mine, Soda Springs, Idaho, USA'
_chemical_formula_sum            'Al0.78 Ba0.94 O36.94 P3 V5.22'
_chemical_name_mineral           Phosphovanadylite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.470
_cell_length_b                   15.470
_cell_length_c                   15.470
_cell_formula_units_Z            4
_cell_volume                     3702.294
_database_code_amcsd             0002028
_exptl_crystal_density_diffrn    1.973
_cod_original_cell_volume        3702.295
_cod_original_formula_sum        '(V5.22 Al.78) P3 O36.94 Ba.94'
_cod_database_code               9001967
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-z,x,-y
1/2-z,1/2+x,1/2-y
-y,z,-x
1/2-y,1/2+z,1/2-x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-z,-y
1/2+x,1/2-z,1/2-y
z,-y,-x
1/2+z,1/2-y,1/2-x
y,-x,-z
1/2+y,1/2-x,1/2-z
x,z,y
1/2+x,1/2+z,1/2+y
z,y,x
1/2+z,1/2+y,1/2+x
y,x,z
1/2+y,1/2+x,1/2+z
-z,-x,y
1/2-z,1/2-x,1/2+y
-y,-z,x
1/2-y,1/2-z,1/2+x
-x,-y,z
1/2-x,1/2-y,1/2+z
z,-x,-y
1/2+z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,z,-y
1/2-x,1/2+z,1/2-y
-z,y,-x
1/2-z,1/2+y,1/2-x
-y,x,-z
1/2-y,1/2+x,1/2-z
-x,-z,y
1/2-x,1/2-z,1/2+y
-z,-y,x
1/2-z,1/2-y,1/2+x
-y,-x,z
1/2-y,1/2-x,1/2+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V 0.42940 0.42940 0.08280 0.87000 0.01700
Al 0.42940 0.42940 0.08280 0.13000 0.01700
P 0.25000 0.50000 0.00000 1.00000 0.02000
O1 0.43500 0.30700 0.05000 1.00000 0.02600
O2 0.42000 0.42000 0.18400 1.00000 0.02900
O3 0.55800 -0.55800 0.06600 1.00000 0.01700
O4 0.25700 0.25700 -0.02800 0.85000 0.09000
Ba4 0.25700 0.25700 -0.02800 0.13000 0.09000
O5 0.34000 0.34000 0.34000 0.92000 0.10200
Ba5 0.34000 0.34000 0.34000 0.08000 0.10200
O6 0.14800 0.14800 0.31400 1.00000 0.16800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002028
