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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009304.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_9009304
_chemical_name 'Lazulite'
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1983
_journal_year 1983
_journal_page_first 410
_journal_page_last 416
_publ_section_title
;
 Lazulite, (Mg,Fe)Al2(OH)2(PO4)2: structure refinement and hydrogen bonding
 Locality: Graves Mountain, Lincoln County, Georgia, USA
;
_chemical_formula_sum '(Mg.866 Fe.134) Al2 P2 O10 H2'
_cell_length_a 7.144
_cell_length_b 7.278
_cell_length_c 7.228
_cell_angle_alpha 90
_cell_angle_beta 120.51
_cell_angle_gamma 90
_cell_volume 323.778
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
_atom_site_Uiso_or_equiv
Mg   0.00000   0.00000   0.00000   0.86600   0.00621
Fe   0.00000   0.00000   0.00000   0.13400   0.00621
Al  -0.26740   0.26680   0.00640   1.00000   0.00469
P   0.24800   0.38540   0.24500   1.00000   0.00431
O1  -0.21250   0.01420   0.10600   1.00000   0.00773
O2  -0.28810   0.49980  -0.09300   1.00000   0.00861
O3   0.04360   0.26410   0.12450   1.00000   0.00785
O4  -0.56190   0.24270  -0.12920   1.00000   0.00836
O5  -0.25990   0.14670  -0.24120   1.00000   0.00646
H  -0.36200   0.42500   0.20900   1.00000   0.00646