data_global
_chemical_name_mineral 'Anorthominasragrite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
'Grice J D'
'Haynes P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 959
_journal_page_last 979
_publ_section_title
;
 Anorthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain,
 Emery County, Utah, U.S.A.: Description, crystal structure and hydrogen bonding
;
_database_code_amcsd 0005878
_chemical_compound_source 'Temple Mountain, Emery County, Utah, USA'
_chemical_formula_sum 'V S O10 H10'
_cell_length_a 7.533
_cell_length_b 7.792
_cell_length_c 7.818
_cell_angle_alpha 78.96
_cell_angle_beta 71.86
_cell_angle_gamma 65.41
_cell_volume 395.517
_exptl_crystal_density_diffrn      2.125
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
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(1)   0.12488   0.70127   0.81162   1.00000   0.01390
S(1)  -0.07590   0.43230   0.77000   1.00000   0.01440
O(1)  -0.00800   0.24460   0.71110   1.00000   0.02100
O(2)  -0.19800   0.44100   0.96290   1.00000   0.01700
O(3)  -0.20480   0.57890   0.66530   1.00000   0.02200
O(4)   0.10680   0.47000   0.75510   1.00000   0.02100
O(5)  -0.10870   0.81670   0.89440   1.00000   0.02500
OW(1)   0.23510   0.89090   0.83500   1.00000   0.02300
OW(2)   0.14740   0.80430   0.55100   1.00000   0.02400
OW(3)   0.45350   0.52750   0.69370   1.00000   0.02000
Wat(4)  -0.36290   0.98180   0.60520   1.00000   0.03200
Wat(5)   0.52360   0.18670   0.92120   1.00000   0.03700
H(1)   0.32500   0.88300   0.90600   1.00000   0.05000
H(2)   0.16300   0.02700   0.81400   1.00000   0.05000
H(3)   0.11300   0.77400   0.45300   1.00000   0.05000
H(4)   0.21400   0.89300   0.49600   1.00000   0.05000
H(5)   0.56300   0.56800   0.68500   1.00000   0.05000
H(6)   0.49500   0.40700   0.76600   0.60000   0.05000
H(7)   0.46000   0.52800   0.56700   0.40000   0.05000
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
V(1) 0.01460 0.01300 0.01310 -0.00580 -0.00190 0.00010
S(1) 0.01840 0.01510 0.01190 -0.00880 -0.00440 0.00070
O(1) 0.03000 0.01800 0.02100 -0.01300 -0.00900 -0.00200
O(2) 0.01700 0.02400 0.01000 -0.01000 0.00000 0.00100
O(3) 0.02700 0.02300 0.01400 -0.01000 -0.00900 0.00500
O(4) 0.02400 0.01900 0.01800 -0.00900 0.00000 -0.00700
O(5) 0.01900 0.02800 0.02700 -0.00800 -0.00500 -0.00700
OW(1) 0.03000 0.02000 0.02400 -0.01500 -0.00700 -0.00300
OW(2) 0.03500 0.03000 0.01700 -0.01900 -0.01400 0.00400
OW(3) 0.01300 0.02000 0.02500 -0.00500 -0.00600 0.00000
Wat(4) 0.02900 0.03000 0.03500 -0.01700 -0.00500 0.00700
Wat(5) 0.03100 0.02500 0.04800 -0.00500 -0.00700 -0.00300