#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004734.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_9004734
loop_
_publ_author_name
'Schindler, M.'
'Hawthorne, F. C.'
'Huminicki, D. M. C.'
'Haynes, P.'
'Grice, J. D.'
'Evans, H. T.'
_publ_section_title
;
 Bobjonesite, VO(SO4)(H2O)3, a new mineral species from Temple Mountain,
 Emery County, Utah, U.S.A.
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              83
_journal_page_last               90
_journal_paper_doi               10.2113/gscanmin.41.1.83
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Temple Mountain, Emery County, Utah, USA'
_chemical_formula_sum            'H12 O16 S2 V2'
_chemical_name_mineral           Bobjonesite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.55
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.3940
_cell_length_b                   7.4111
_cell_length_c                   12.0597
_cell_volume                     633.466
_database_code_amcsd             0005827
_exptl_crystal_density_diffrn    2.276
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with dimeric structure
Formula fixed accordingly
                 miguel
;
_cod_original_formula_sum        'V S O8 H6'
_cod_database_code               9004734
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+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
V 0.56808 0.28298 -0.12525 0.01480
S 0.22910 0.35900 -0.01264 0.01300
O(1) 0.44780 0.40630 -0.22600 0.03160
O(2) 0.75770 0.10280 0.01280 0.02020
O(3) 0.44160 0.03980 -0.16960 0.02600
O(4) 0.76140 0.20420 -0.20810 0.02400
O(5) 0.76270 0.45730 -0.03560 0.02600
O(6) 0.42300 0.30120 -0.00860 0.01800
O(7) 0.15760 0.23500 0.05960 0.02100
O(8) 0.10730 0.35740 -0.13100 0.02500
H(1) 0.88000 0.15200 0.05700 0.02000
H(2) 0.80300 -0.01200 -0.00900 0.02000
H(3) 0.35400 -0.00100 -0.12700 0.02000
H(4) 0.91500 0.51200 0.25300 0.02000
H(5) 0.72600 0.22600 -0.29170 0.02000
H(6) 0.88900 0.25100 -0.17200 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005827
