data_global
_chemical_name_mineral 'Schumacherite'
loop_
_publ_author_name
'Walenta K'
'Dunn P J'
'Hentschel G'
'Mereiter K'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 31 
_journal_year 1983
_journal_page_first 165
_journal_page_last 173
_publ_section_title
;
 Schumacherit, ein neues Wismutmineral von Schneeberg in Sachsen
 Note: structure determined after the paper was published: Schumacherite,
 Bi3O(OH)((V0.55,As0.22,P0.23)O4)2, using a triclinic reduced cell
 instead of the non-reduced cell applied in the publication
;
_database_code_amcsd 0020890
_chemical_compound_source 'Schneeberg, Sachsen, Germany'
_chemical_formula_sum 'Bi3 V1.1 P.45 As.44 O10 H'
_cell_length_a 6.909
_cell_length_b 7.401
_cell_length_c 9.399
_cell_angle_alpha 110.72
_cell_angle_beta 106.05
_cell_angle_gamma 92.20
_cell_volume 427.008
_exptl_crystal_density_diffrn      6.929
_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
Bi1   0.77098   0.41322   0.52578   1.00000   0.02130
Bi2   0.74272   0.74225   0.30028   1.00000   0.02080
Bi3   0.79699   0.15741   0.07448   1.00000   0.02750
V1   0.77480   0.01880   0.69590   0.65000   0.01820
P1   0.77480   0.01880   0.69590   0.24000   0.01820
As1   0.77480   0.01880   0.69590   0.10000   0.01820
V2   0.30950   0.37370   0.09650   0.45000   0.01920
P2   0.30950   0.37370   0.09650   0.21000   0.01920
As2   0.30950   0.37370   0.09650   0.34000   0.01920
O1X   0.90300   0.53800   0.38010   1.00000   0.02300
O-H2   0.74200   0.15500   0.30400   1.00000   0.02600
O3   0.95800   0.02100   0.85300   1.00000   0.02700
O4   0.69600  -0.19900   0.55800   1.00000   0.03800
O5   0.86300   0.16100   0.62300   1.00000   0.03100
O6   0.59300   0.10400   0.76700   1.00000   0.02700
O7   0.50200   0.51500   0.25730   1.00000   0.02300
O8   0.26000   0.46600  -0.04880   1.00000   0.02100
O9   0.38100   0.15300   0.02600   1.00000   0.02600
O10   0.11500   0.37500   0.16800   1.00000   0.02900
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
Bi1 0.01250 0.02920 0.02710 0.00780 0.00960 0.01330
Bi2 0.01610 0.02440 0.02530 0.00520 0.00650 0.01310
Bi3 0.02630 0.03190 0.02610 0.01050 0.00860 0.01210
V1 0.01200 0.02700 0.02000 0.00440 0.00710 0.01200
P1 0.01200 0.02700 0.02000 0.00440 0.00710 0.01200
As1 0.01200 0.02700 0.02000 0.00440 0.00710 0.01200
V2 0.01510 0.02400 0.02100 0.00690 0.00660 0.01010
P2 0.01510 0.02400 0.02100 0.00690 0.00660 0.01010
As2 0.01510 0.02400 0.02100 0.00690 0.00660 0.01010