#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009597.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009597
_chemical_name 'Trigonite'
loop_
_publ_author_name
'Pertlik F'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 25
_journal_year 1978
_journal_page_first 95
_journal_page_last 105
_publ_section_title
;
 The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH))
 Locality: Langban, Varmland, Sweden
;
_chemical_formula_sum 'Pb3 Mn As3 O9 H'
_cell_length_a 7.26
_cell_length_b 6.78
_cell_length_c 11.09
_cell_angle_alpha 90
_cell_angle_beta 91.5
_cell_angle_gamma 90
_cell_volume 545.694
_symmetry_space_group_name_H-M 'P 1 n 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Pb1   0.00000   0.12450   0.00000   0.01153
Pb2   0.19760   0.35230   0.29010   0.01153
Pb3   0.28520   0.27460   0.71360   0.01191
Mn   0.49480   0.01830   0.95560   0.00659
As1   0.21120   0.79570   0.72090   0.00773
As2   0.26620   0.88940   0.19510   0.00912
As3   0.42170   0.48680   0.01030   0.01115
O1   0.26900   0.99600   0.82500   0.01900
O2   0.43600   0.70300   0.67900   0.01520
O3   0.19500   0.94800   0.59200   0.01393
O4   0.20600   0.02800   0.32000   0.00507
O5   0.04600   0.82200   0.12400   0.00507
O6   0.28100   0.10100   0.09900   0.02406
O7   0.47300   0.33600   0.88500   0.01900
O8   0.00800   0.28900   0.45700   0.02153
O-H9   0.17500   0.54600   0.96700   0.02533