data_global
_chemical_name_mineral 'Vajdakite'
loop_
_publ_author_name
'Ondrus P'
'Skala R'
'Cisarova I'
'Veselovsky F'
'Fryda J'
'Cejka J'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 983
_journal_page_last 990
_publ_section_title
;
 Description and crystal structure of vajdakite, [(MoO2)2(H2O)2As2O5].H2O -
 a new mineral from Jachymov, Czech Republic
;
_database_code_amcsd 0002870
_chemical_formula_sum 'Mo As O6 H3'
_cell_length_a 7.0398
_cell_length_b 12.0682
_cell_length_c 12.210
_cell_angle_alpha 90
_cell_angle_beta 101.265
_cell_angle_gamma 90
_cell_volume 1017.349
_exptl_crystal_density_diffrn      3.524
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Mo1   0.62140   0.21210   0.27570   0.01200
Mo2   0.17990   0.23210   0.09050   0.01300
As1   0.20660   0.14180  -0.16260   0.01300
As2   0.62450   0.34400   0.50300   0.01300
O1  -0.03330   0.29150   0.10680   0.02400
O2   0.49630   0.19760   0.10950   0.01400
O3   0.13870   0.09510   0.10060   0.02600
O4   0.80840   0.12670   0.26710   0.02200
O5   0.71860   0.34140   0.27450   0.02200
O6   0.31470   0.26590   0.24850   0.01400
O7   0.16810   0.24320  -0.06680   0.01900
O8   0.42750   0.08400  -0.08750   0.01400
O9   0.60290   0.21580   0.43000   0.01800
Wat10   0.45880   0.04700   0.28320   0.02200
Wat11   0.28860   0.40900   0.07420   0.03400
Wat12   0.14770   0.01370   0.37050   0.02500
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
Mo1 0.00900 0.01700 0.00700 0.00200 -0.00400 0.00000
Mo2 0.01000 0.01900 0.00700 0.00100 -0.00400 -0.00100
As1 0.01100 0.01800 0.00800 -0.00300 -0.00400 -0.00100
As2 0.01000 0.02000 0.00700 -0.00300 -0.00300 0.00000
O1 0.01800 0.03800 0.01000 0.00800 -0.00800 -0.00200
O2 0.00900 0.02500 0.00600 0.00300 -0.00100 0.00200
O3 0.03000 0.01900 0.02800 -0.00100 -0.00100 0.00000
O4 0.01800 0.03100 0.01400 0.00500 -0.00500 -0.00400
O5 0.02300 0.02000 0.02400 -0.00200 0.00500 0.00300
O6 0.01000 0.02600 0.00500 0.00400 -0.00500 -0.00200
O7 0.01600 0.02900 0.00800 0.00400 -0.00400 0.00100
O8 0.01500 0.01500 0.01100 0.00300 -0.00400 0.00000
O9 0.01500 0.02800 0.00600 0.00100 -0.00800 0.00000
Wat10 0.02000 0.02000 0.02200 -0.00100 -0.00700 0.00200
Wat11 0.03800 0.02500 0.03100 -0.01100 -0.01000 0.00000
Wat12 0.01700 0.02600 0.02700 -0.00300 -0.00800 -0.01100