#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004189.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_9004189
_chemical_name 'Moydite-(Y)'
loop_
_publ_author_name
'Grice J D'
'Ercit T S'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 24
_journal_year 1986
_journal_page_first 675
_journal_page_last 678
_publ_section_title
;
 The crystal structure of moydite
;
_chemical_formula_sum '(Y.9 Sm.1) B C O7 H4'
_cell_length_a 9.089
_cell_length_b 12.244
_cell_length_c 8.926
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 993.336
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
_atom_site_Uiso_or_equiv
Y   0.01460   0.49910   0.22720   0.90000   0.00830
Sm   0.01460   0.49910   0.22720   0.10000   0.00830
B   0.00320   0.24900   0.24150   1.00000   0.01490
C   0.26220   0.54540   0.02680   1.00000   0.01130
O1  -0.27920   0.46880  -0.16920   1.00000   0.01320
O2  -0.12670   0.45500   0.01640   1.00000   0.01660
O3   0.36800   0.55650  -0.06170   1.00000   0.02020
O-H4   0.10190   0.31720   0.15340   1.00000   0.01550
O-H5  -0.09440   0.32560   0.32580   1.00000   0.01590
O-H6   0.08790   0.17960   0.35050   1.00000   0.01760
O-H7  -0.08440   0.17000   0.15380   1.00000   0.01650