data_global
_chemical_name_mineral 'Alvanite'
loop_
_publ_author_name
'Pertlik F'
'Dunn P J'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1990 
_journal_year 1990
_journal_page_first 385
_journal_page_last 392
_publ_section_title
;
 Crystal structure of alvanite, (Zn,Ni)Al4(VO3)2(OH)12*2H2O, the
 first example of an unbranched zweier-single chain vanadate in nature
;
_database_code_amcsd 0014847
_chemical_formula_sum 'Zn Al4 V2 O20 H16'
_cell_length_a 17.808
_cell_length_b 5.132
_cell_length_c 8.881
_cell_angle_alpha 90
_cell_angle_beta 92.11
_cell_angle_gamma 90
_cell_volume 811.090
_exptl_crystal_density_diffrn      2.503
_symmetry_space_group_name_H-M 'P 1 21/n 1'
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
Zn   0.00000   0.50000   0.50000 ?
All   0.99820   0.99860   0.32630 ?
Al2   0.00190   0.50090   0.83980 ?
V   0.24280   0.11590   0.13630 ?
O1   0.29130   0.84060   0.22640 ?
O2   0.17030   0.00810   0.03400 ?
O3   0.29970   0.26340   0.02640 ?
O-hl   0.05740   0.31780   0.68240 ?
O-h2   0.44730   0.36020   0.99790 ?
O-h3   0.94630   0.68260   0.67750 ?
O-h4   0.05760   0.38920   0.00560 ?
O-h5   0.05760   0.80460   0.81200 ?
O-h6   0.94710   0.19830   0.80010 ?
O-h7   0.20920   0.21990   0.69950 ?
Hl   0.10500   0.31100   0.68900   0.02000
H2   0.40800   0.36200   0.99700   0.02000
H3   0.10100   0.31100   0.32800   0.02000
H4   0.08700   0.39100   0.00500   0.02000
H5   0.08800   0.87500   0.85300   0.02000
H6   0.08000   0.84100   0.16200   0.02000
Hwl   0.77200   0.81900   0.23100   0.02000
Hw2   0.78600   0.78600   0.36700   0.02000
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
Zn 0.03020 0.01070 0.01530 -0.00180 0.00130 -0.00130
All 0.01720 0.00630 0.01200 -0.00050 0.00100 -0.00210
Al2 0.01930 0.00650 0.01300 0.00370 0.00160 -0.00140
V 0.01830 0.01410 0.02420 -0.00060 0.00020 0.00090
O1 0.02240 0.01900 0.02660 -0.00060 -0.00150 0.00400
O2 0.01880 0.02190 0.02650 0.00320 -0.00060 -0.00410
O3 0.02450 0.03960 0.03440 0.00040 0.00560 0.00360
O-hl 0.01000 0.00670 0.01710 -0.00530 -0.00060 0.00120
O-h2 0.00920 0.00460 0.02140 0.00660 -0.00100 0.00100
O-h3 0.01560 0.00930 0.00880 0.00710 0.00560 0.00030
O-h4 0.01840 0.01760 0.01360 -0.00170 0.00160 0.00180
O-h5 0.02120 0.00410 0.01380 -0.00540 -0.00760 0.00470
O-h6 0.02600 0.01290 0.01370 -0.00120 0.01280 0.00180
O-h7 0.06060 0.06550 0.04430 0.00600 -0.00550 0.00680