data_global
_chemical_name_mineral 'Kentrolite'
loop_
_publ_author_name
'Moore P B'
'Sen Gupta P K'
'Shen J'
'Schlemper E O'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1389
_journal_page_last 1399
_publ_section_title
;
 The kentrolite-melanotekite series, 4Pb2(Mn,Fe)2O2[Si2O7]: Chemical
 crystallographic relations, lone-pair splitting, and cation relation to 8URe2
;
_database_code_amcsd 0001395
_chemical_formula_sum 'Pb2 Mn1.68 Fe.32 Si2 O9'
_cell_length_a 6.961
_cell_length_b 11.018
_cell_length_c 9.964
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 764.202
_exptl_crystal_density_diffrn      6.299
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1   0.45610   0.30120   0.55000   0.73000
Pb2   0.53510   0.30980   0.54750   0.27000
Mn1   0.50000   0.00000   0.00000   0.68000
Fe1   0.50000   0.00000   0.00000   0.32000
Mn2   0.50000   0.14820   0.25000   0.68000
Mn2   0.50000   0.14820   0.25000   0.32000
Si   0.21400  -0.09070   0.25280   1.00000
O1   0.34020   0.00540   0.33610   1.00000
O2   0.29950  -0.11350   0.10310   1.00000
O3   0.18880  -0.22170   0.32720   1.00000
O4   0.00000  -0.02860   0.25000   1.00000
O5   0.60940   0.14420   0.42270   1.00000
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
Pb1 0.01670 0.00910 0.00960 0.00030 -0.00110 -0.00160
Pb2 0.02670 0.00750 0.00640 0.00390 0.00150 -0.00040
Mn1 0.00990 0.00600 0.00620 0.00090 -0.00150 -0.00170
Fe1 0.00990 0.00600 0.00620 0.00090 -0.00150 -0.00170
Mn2 0.00830 0.00800 0.00540 0.00000 -0.00110 0.00000
Mn2 0.00830 0.00800 0.00540 0.00000 -0.00110 0.00000
Si 0.00780 0.00460 0.00660 0.00130 -0.00090 0.00050
O1 0.01160 0.00720 0.00940 -0.00790 -0.00130 -0.00570
O2 0.02510 0.00830 0.00870 -0.00540 0.00340 -0.00750
O3 0.01260 0.01250 0.00940 -0.00510 -0.00110 0.00400
O4 0.00590 0.01090 0.05460 0.00000 0.00010 0.00000
O5 0.01670 0.00340 0.00390 -0.00100 -0.00180 0.00010