#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009841.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_9009841
_chemical_name 'Nickenichite'
loop_
_publ_author_name
'Auernhammer M'
'Effenberger H'
'Hentschel G'
'Reinecke T'
'Tillmanns E'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 48
_journal_year 1993
_journal_page_first 153
_journal_page_last 166
_publ_section_title
;
 Nickenichite, a new arsenate from the Eifel, Germany
 Locality: Nickenich, Nickenicher Sattel, Eifel, Germany
;
_chemical_formula_sum 'Na.76 Ca.41 Cu.39 (Mg2.45 Fe.55) As3 O12'
_cell_length_a 11.882
_cell_length_b 12.760
_cell_length_c 6.647
_cell_angle_alpha 90
_cell_angle_beta 112.81
_cell_angle_gamma 90
_cell_volume 928.967
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Na   0.00000   0.99220   0.25000   0.76000   0.02964
Ca   0.00000   0.50000   0.00000   0.41000   0.03508
Cu   0.00000   0.50260   0.25000   0.39000   0.01684
MgMe1   0.00000   0.26160   0.25000   0.89000   0.02204
FeMe1   0.00000   0.26160   0.25000   0.11000   0.02204
MgMe2   0.21430   0.15580   0.12440   0.78000   0.01279
FeMe2   0.21430   0.15580   0.12440   0.22000   0.01279
As1   0.00000   0.71180   0.25000   1.00000   0.01254
As2   0.26733   0.38706   0.37570   1.00000   0.01267
O11   0.89150   0.62320   0.23810   1.00000   0.01976
O12  -0.03860   0.78400   0.02000   1.00000   0.01532
O21   0.11690   0.39330   0.31500   1.00000   0.01621
O22   0.28380   0.31410   0.17850   1.00000   0.01330
O23   0.33250   0.50420   0.38870   1.00000   0.01798
O24   0.33970   0.32940   0.61890   1.00000   0.01456