data_global
_chemical_name_mineral 'Mathesiusite'
loop_
_publ_author_name
'Plasil J'
'Veselovsky F'
'Hlousek J'
'Skoda R'
'Novak M'
'Sejkora J'
'Cejka J'
'Skacha P'
'Kasatkin A V'
_journal_name_full 'American Mineralogist'
_journal_volume 99 
_journal_year 2014
_journal_page_first 625
_journal_page_last 632
_publ_section_title
;
 Mathesiusite, K5(UO2)4(SO4)4(VO5)(H2O)4, a new uranyl vanadate-sulfate from
 Jachymov, Czech Republic
;
_database_code_amcsd 0020031
_chemical_compound_source 'Jachymov, Czech Republic'
_chemical_formula_sum 'K4.916 U4 S4.04 V.87 O33 H8'
_cell_length_a 14.9704
_cell_length_b 14.9704
_cell_length_c 6.8170
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1527.777
_exptl_crystal_density_diffrn      4.031
_symmetry_space_group_name_H-M 'P 4/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '-y,x,-z'
  '1/2+y,1/2-x,z'
  '1/2-x,1/2-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
K1   0.11920   0.30160   0.37770   0.99400   0.04800
K2   0.00000   0.00000   0.00000   0.94000   0.09000
U   0.30867   0.06729   0.12671   1.00000   0.02040
S   0.80120   0.14240   0.12390   1.00000   0.02280
V   0.50000   0.00000   0.31720   0.87000   0.02210
S   0.50000   0.00000   0.31720   0.04000   0.02210
O1   0.80730   0.04490   0.15700   1.00000   0.03100
O2   0.33860   0.04130  -0.11740   1.00000   0.02200
Wat3   0.00320   0.13730   0.38600   1.00000   0.08500
O4   0.27650   0.09560   0.36530   1.00000   0.02300
O5   0.87220   0.16770  -0.00530   1.00000   0.02600
O6   0.71720   0.16040   0.02070   1.00000   0.03000
O7   0.39100  -0.04780   0.23900   1.00000   0.02200
O8   0.80360   0.19030   0.30660   1.00000   0.03100
O9   0.50000   0.00000   0.55500   1.00000   0.03200
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
K1 0.04400 0.06700 0.03200 -0.01600 -0.00200 0.00600
K2 0.06300 0.06300 0.14400 0.00000 0.00000 0.00000
U 0.01850 0.01830 0.02440 -0.00040 0.00020 0.00000
S 0.02100 0.01600 0.03100 -0.00040 0.00000 0.00100
V 0.02000 0.02000 0.02600 0.00000 0.00000 0.00000
S 0.02000 0.02000 0.02600 0.00000 0.00000 0.00000