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 6855
_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  6.76
_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   0.3634  0.7345  0.8307  0.0133
Bi   0.23608  0.96812  0.40945  0.0127
As   0.1864  0.3875  0.1578  0.0108
O1   0.501  0.05  0.77  0.0118
O2   0.228  0.628  0.416  0.0119
O3   0.235  0.423  0.864  0.0167
O4   -0.083  0.202  0.084  0.0145
O5   0.347  0.275  0.268  0.0163
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   0.0099  0.017  0.0129  0.0057  0.0023  0.0049
Bi   0.0077  0.0183  0.0134  0.0067  0.0036  0.0055
As   0.0072  0.0144  0.0108  0.0051  0.0015  0.0038
O1   0.007  0.0237  0.007  0.0095  0.0024  0.0047
O2   0.0122  0.0149  0.0128  0.0087  0.0048  0.0065
O3   0.0176  0.0148  0.0194  0.0097  0.0034  0.0051
O4   0.0111  0.0166  0.016  0.0055  0.0045  0.0061
O5   0.0087  0.0204  0.0237  0.008  0.0048  0.0103