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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007512.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007512
loop_
_publ_author_name
'Fanfani, L.'
'Nunzi, A.'
'Zanazzi, P. F.'
_publ_section_title
;
 The crystal structure of fairfieldite
 Locality: Foote Mine, North Carolina, USA
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              640
_journal_page_last               645
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Ca2 H4 Mn O10 P2'
_chemical_name_mineral           Fairfieldite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.27
_cell_angle_beta                 108.67
_cell_angle_gamma                90.30
_cell_length_a                   5.79
_cell_length_b                   6.57
_cell_length_c                   5.51
_cell_volume                     193.428
_exptl_crystal_density_diffrn    3.100
_[local]_cod_chemical_formula_sum_orig 'Ca2 Mn P2 O10 H4'
_cod_database_code               9007512
_amcsd_database_code             AMCSD#0009303
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_U_iso_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