data_global
_chemical_name_mineral 'Orthominasragrite'
loop_
_publ_author_name
'Hawthorne F C'
'Schindler M'
'Grice J D'
'Haynes P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 39 
_journal_year 2001
_journal_page_first 1325
_journal_page_last 1331
_publ_section_title
;
 Orthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple
 Mountain, Emery county, Utah, U.S.A.
;
_database_code_amcsd 0005743
_chemical_compound_source 'Temple Mountain, Emery county, Utah, USA'
_chemical_formula_sum 'V S O10 H10'
_cell_length_a 7.242
_cell_length_b 9.319
_cell_length_c 6.192
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 417.887
_exptl_crystal_density_diffrn      2.011
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V   0.00000   0.28670   0.00000 ?
S   0.00000   0.76470  -0.02380 ?
O(1)   0.00000   0.34680   0.23900 ?
OW(2)   0.00000   0.17080   0.68480 ?
OW(3)   0.20300   0.13900   0.04590 ?
OW(4)   0.19380   0.41540   0.86810 ?
O(5)   0.16530   0.85630  -0.04290 ?
O(6)   0.00000   0.66080   0.79970 ?
O(7)   0.00000   0.69110   0.18810 ?
H(1)   0.00000   0.15700   0.52800   0.03000
H(2)   0.00000   0.25600   0.59200   0.03000
H(3)   0.16400   0.04500  -0.00700   0.03000
H(4)   0.27400   0.13100   0.18000   0.03000
H(5)   0.30600   0.37000   0.81200   0.03000
H(6)   0.18900   0.51700   0.82900   0.03000
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 0.01880 0.01650 0.01730 0.00000 0.00000 -0.00350
S 0.01810 0.01640 0.01880 0.00000 0.00000 0.00110
O(1) 0.04470 0.02850 0.02490 0.00000 0.00000 -0.00980
OW(2) 0.03020 0.03080 0.01520 0.00000 0.00000 0.00000
OW(3) 0.02970 0.01870 0.02820 0.00340 -0.00900 -0.00210
OW(4) 0.02080 0.02400 0.04940 -0.00120 0.01020 0.00240
O(5) 0.01740 0.02440 0.02590 -0.00360 0.00280 0.00320
O(6) 0.03670 0.01840 0.03910 0.00000 0.00000 -0.00070
O(7) 0.02450 0.03670 0.02380 0.00000 0.00000 0.01110