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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009409.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_9009409
_chemical_name 'Gottlobite'
loop_
_publ_author_name
'Witzke T'
'Steins M'
'Doering T'
'Kolitsch U'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 2000
_journal_year 2000
_journal_page_first 444
_journal_page_last 454
_publ_section_title
;
 Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Ge
 Locality: Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany
;
_chemical_formula_sum 'Ca Mg (V.75 As.25) O5 H.5'
_cell_length_a 7.510
_cell_length_b 9.004
_cell_length_c 5.948
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 402.204
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca   0.13020   0.32840   0.52460   1.00000
Mg   0.74100   0.49490   0.75550   1.00000
V   0.88340   0.18037   0.01580   0.75000
As   0.88340   0.18037   0.01580   0.25000
O-H1   0.60590   0.42510   0.49400   1.00000
O2   0.06300   0.06150  -0.00990   1.00000
O3   0.85230   0.27390  -0.23310   1.00000
O4   0.89490   0.29630   0.24220   1.00000
O5   0.71370   0.06380   0.07870   1.00000