data_global
_chemical_name_mineral 'Paganoite'
loop_
_publ_author_name
'Roberts A C'
'Burns P C'
'Gault R A'
'Criddle A J'
'Feinglos M N'
'Stirling J A R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 167
_journal_page_last 175
_publ_section_title
;
 Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt,
 Saxony, Germany: description and crystal structure
;
_database_code_amcsd 0006855
_chemical_compound_source 'Johanngeorgenstadt, Saxony, Germany'
_chemical_formula_sum 'Ni Bi As O5'
_cell_length_a 6.7127
_cell_length_b 6.8293
_cell_length_c 5.2345
_cell_angle_alpha 107.625
_cell_angle_beta 95.409
_cell_angle_gamma 111.158
_cell_volume 207.616
_exptl_crystal_density_diffrn      6.760
_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_U_iso_or_equiv
Ni   0.36340   0.73450   0.83070   0.01330
Bi   0.23608   0.96812   0.40945   0.01270
As   0.18640   0.38750   0.15780   0.01080
O1   0.50100   0.05000   0.77000   0.01180
O2   0.22800   0.62800   0.41600   0.01190
O3   0.23500   0.42300   0.86400   0.01670
O4  -0.08300   0.20200   0.08400   0.01450
O5   0.34700   0.27500   0.26800   0.01630
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
Ni 0.00990 0.01700 0.01290 0.00570 0.00230 0.00490
Bi 0.00770 0.01830 0.01340 0.00670 0.00360 0.00550
As 0.00720 0.01440 0.01080 0.00510 0.00150 0.00380
O1 0.00700 0.02370 0.00700 0.00950 0.00240 0.00470
O2 0.01220 0.01490 0.01280 0.00870 0.00480 0.00650
O3 0.01760 0.01480 0.01940 0.00970 0.00340 0.00510
O4 0.01110 0.01660 0.01600 0.00550 0.00450 0.00610
O5 0.00870 0.02040 0.02370 0.00800 0.00480 0.01030