data_global
_chemical_name_mineral 'Graeserite'
loop_
_publ_author_name
'Berlepsch P'
'Armbruster T'
_journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_volume 78 
_journal_year 1998
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 The crystal structure of Pb2+-bearing graeserite, Pb0.14(Fe,Ti)7AsO12+x(OH)2-x,
 a mineral of the derbylite group
;
_database_code_amcsd 0015412
_chemical_compound_source 'Gorb, Binn valley, Western Alps, Switzerland'
_chemical_formula_sum 'Pb.14 (Fe4 Ti3) As O14 H'
_cell_length_a 5.0053
_cell_length_b 14.272
_cell_length_c 7.1736
_cell_angle_alpha 90
_cell_angle_beta 105.165
_cell_angle_gamma 90
_cell_volume 494.605
_exptl_crystal_density_diffrn      4.673
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Pb  -0.45600   0.50000   0.93670   0.07000   0.03166
FeM1   0.00000   0.50000   0.50000   0.57140   0.00836
TiM1   0.00000   0.50000   0.50000   0.42860   0.00836
FeM2   0.50000   0.62037   0.50000   0.57140   0.00823
TiM2   0.50000   0.62037   0.50000   0.42860   0.00823
FeM3  -0.37560   0.81093   0.81360   0.57140   0.00773
TiM3  -0.37560   0.81093   0.81360   0.42860   0.00773
As  -0.25150   0.50000   0.91690   0.50000   0.01216
O1  -0.27020   0.90160   0.66260   1.00000   0.01368
O2  -0.26080   0.70460   0.67980   1.00000   0.01191
O3   0.50000   0.71390   0.00000   1.00000   0.01140
O4   0.50000   0.90410   0.00000   1.00000   0.01482
O5  -0.27900   0.50000   0.65000   0.50000   0.01292
O-H5  -0.27900   0.50000   0.65000   0.50000   0.01292
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
Pb 0.00200 0.01800 0.04300 0.00000 -0.01700 0.00000
FeM1 0.00800 0.00590 0.01070 0.00000 0.00140 0.00000
TiM1 0.00800 0.00590 0.01070 0.00000 0.00140 0.00000
FeM2 0.00860 0.00740 0.00880 0.00000 0.00240 0.00000
TiM2 0.00860 0.00740 0.00880 0.00000 0.00240 0.00000
FeM3 0.00780 0.00720 0.00850 0.00130 0.00260 0.00080
TiM3 0.00780 0.00720 0.00850 0.00130 0.00260 0.00080
As 0.02200 0.00520 0.00790 0.00000 0.00030 0.00000
O1 0.01600 0.01200 0.01400 0.00000 0.00600 -0.00200
O2 0.01200 0.01300 0.01100 0.00000 0.00400 -0.00200
O3 0.01400 0.00900 0.01300 0.00000 0.00500 0.00000
O4 0.02000 0.01000 0.01600 0.00000 0.00600 0.00000
O5 0.01200 0.01200 0.01800 0.00000 0.01000 0.00000
O-H5 0.01200 0.01200 0.01800 0.00000 0.01000 0.00000