#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007512.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_9007512
_chemical_name 'Fairfieldite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 26
_journal_year 1970
_journal_page_first 640
_journal_page_last 645
_publ_section_title
;
 The crystal structure of fairfieldite
 Locality: Foote Mine, North Carolina, USA
;
_chemical_formula_sum 'Ca2 Mn P2 O10 H4'
_cell_length_a 5.79
_cell_length_b 6.57
_cell_length_c 5.51
_cell_angle_alpha 102.27
_cell_angle_beta 108.67
_cell_angle_gamma 90.30
_cell_volume 193.428
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ca   0.60200   0.23370   0.33320   0.00279
Mn   0.00000   0.00000   0.00000   0.00405
P   0.24630   0.23250   0.64720   0.00152
O1   0.00310   0.32640   0.61570   0.00608
O2   0.45520   0.39950   0.69400   0.00519
O3   0.24610   0.06990   0.39650   0.00570
O4   0.30580   0.11770   0.87850   0.00545
Wat5  -0.15430   0.30040   0.06630   0.00735