#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004544.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_9004544
loop_
_publ_author_name
'Schindler M'
'Hawthorne F C'
_publ_section_title
;
 The crystal structure of schuilingite-(Nd)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1463
_journal_page_last               1470
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
'Pb Nd.24 Y.16 La.04 Pr.03 Sm.12 Eu.06 Gd.18 Tb.02 Dy.13 Er.03 Yb.01 Cu.92 C3 O11 H3'
_chemical_name_mineral           Schuilingite-(Nd)
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.419
_cell_length_b                   18.859
_cell_length_c                   6.395
_cell_volume                     894.756
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
1/2+x,1/2+y,1/2-z
1/2+x,-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 0.50000 0.86016 0.38200 1.00000 0.01580
Nd 0.00110 0.69205 0.10200 0.24000 0.09600
Y 0.00110 0.69205 0.10200 0.16000 0.09600
La 0.00110 0.69205 0.10200 0.04000 0.09600
Pr 0.00110 0.69205 0.10200 0.03000 0.09600
Sm 0.00110 0.69205 0.10200 0.12000 0.09600
Eu 0.00110 0.69205 0.10200 0.06000 0.09600
Gd 0.00110 0.69205 0.10200 0.18000 0.09600
Tb 0.00110 0.69205 0.10200 0.02000 0.09600
Dy 0.00110 0.69205 0.10200 0.13000 0.09600
Er 0.00110 0.69205 0.10200 0.03000 0.09600
Yb 0.00110 0.69205 0.10200 0.01000 0.09600
Cu 0.29340 0.55870 0.31150 0.92000 0.01660
C1 0.15900 0.84000 0.10800 1.00000 0.01800
C2 0.67000 0.78300 0.82300 1.00000 0.01500
C3 -0.06700 0.54200 0.01200 1.00000 0.01300
O1 0.25100 0.89550 0.08200 1.00000 0.01800
O2 0.04700 0.81720 -0.02600 1.00000 0.01700
O3 0.18600 0.80380 0.27600 1.00000 0.01800
O4 0.69700 0.84010 0.72000 1.00000 0.01400
O5 0.52300 0.77200 0.91900 1.00000 0.02000
O6 0.79600 0.73460 0.81900 1.00000 0.01500
O7 0.00800 0.55390 0.19100 1.00000 0.02300
O8 -0.09500 0.59440 -0.11500 1.00000 0.02100
O9 -0.09800 0.47700 -0.05100 1.00000 0.02700
O-H10 0.30400 0.65170 0.16600 1.00000 0.01200
Wat11 0.29400 0.03300 0.95500 1.00000 0.02800