#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009720.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_9009720
_chemical_name 'Drugmanite'
loop_
_publ_author_name
'King G S D'
'Sengier-Roberts L'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 111
_journal_year 1988
_journal_page_first 431
_journal_page_last 437
_publ_section_title
;
 Drugmanite, Pb2(Fe0.78Al0.22)H(PO4)2(OH)2:
 Its crystal structure and place in the datolite group
 Locality: Richelle, Belgium
 Note: anisoU's taken from ICSD
;
_chemical_formula_sum 'Pb2 (Fe.78 Al.22) P2 O10 H'
_cell_length_a 11.111
_cell_length_b 7.986
_cell_length_c 4.643
_cell_angle_alpha 90
_cell_angle_beta 90.41
_cell_angle_gamma 90
_cell_volume 411.974
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+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_Uiso_or_equiv
Pb   0.31395   0.09643  -0.00835   1.00000   0.13300
Fe   0.50000   0.50000   0.00000   0.78000   0.05300
Al   0.50000   0.50000   0.00000   0.22000   0.05300
P   0.60440   0.25670   0.48390   1.00000   0.09200
O2   0.50490   0.30090   0.27060   1.00000   0.13300
O3   0.72940   0.24330   0.34100   1.00000   0.18100
O4   0.61540   0.38510   0.73640   1.00000   0.15400
O5   0.35260   0.40660   0.83270   1.00000   0.11900
O-h1   0.57290   0.08410   0.62410   1.00000   0.16700
H   0.50000   0.00000   0.50000   1.00000 ?