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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007512.cif $
#------------------------------------------------------------------------------
#
# 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
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              640
_journal_page_last               645
_journal_paper_doi               10.1107/S0567740870002893
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        'Foote Mine, North Carolina, USA'
_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
_database_code_amcsd             0009374
_exptl_crystal_density_diffrn    3.100
_cod_original_formula_sum        'Ca2 Mn P2 O10 H4'
_cod_database_code               9007512
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009374