#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/03/9010368.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_9010368
loop_
_publ_author_name
'Atencio, D.'
'Matioli, P. A.'
'Smith, J. B.'
'Chukanov, N. V.'
'Coutinho, J. M. V.'
'Rastsvetaeva, R. K.'
'Mockel, S.'
_publ_section_title
;
 Footemineite, the Mn-analog of atencioite, from the Foote mine, Kings Mountain,
 Cleveland County, North Carolina, U.S.A., and its relationship with other
 roscherite-group minerals
 Locality: Foote mine, Kings Mountain, Cleveland County, North Carolina, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum
'Be4 Ca2 Fe0.52 H16 Li0.17 Mg0.05 Mn4.14 O34 P6'
_chemical_name_mineral           Footemineite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.84
_cell_angle_beta                 85.34
_cell_angle_gamma                87.44
_cell_length_a                   6.788
_cell_length_b                   9.972
_cell_length_c                   10.014
_cell_volume                     648.740
_exptl_crystal_density_diffrn    2.869
_[local]_cod_chemical_formula_sum_orig
'Ca2 Mn4.14 Li.17 Mg.05 Fe.52 P6 Be4 O34 H16'
_cod_database_code               9010368
_amcsd_database_code             AMCSD#0004489
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_occupancy
_atom_site_U_iso_or_equiv
Ca 0.74630 0.26080 0.73720 1.00000 0.01646
MnD1 0.00000 0.00000 0.00000 0.90000 0.02356
LiD2 0.50000 0.00000 0.00000 0.17000 0.05319
MgD2 0.50000 0.00000 0.00000 0.05000 0.05319
MnM1 0.49240 0.99160 0.66730 0.81000 0.01482
FeM1 0.49240 0.99160 0.66730 0.13000 0.01482
MnM2 -0.00090 0.67020 0.98770 0.81000 0.01520
FeM2 -0.00090 0.67020 0.98770 0.13000 0.01520
P1 0.24650 0.27400 0.72180 1.00000 0.01418
P2 0.48180 0.69310 0.93520 1.00000 0.01444
P3 -0.02490 0.93600 0.69470 1.00000 0.01355
Be1 0.69700 0.50600 0.15700 1.00000 0.01646
Be2 0.79600 0.84100 0.49500 1.00000 0.01646
O1 0.19530 0.95550 0.32600 1.00000 0.01646
O2 0.69540 0.32810 0.95550 1.00000 0.01773
O3 0.45130 0.61850 0.82180 1.00000 0.01646
O4 0.32690 0.36730 0.99180 1.00000 0.01773
O5 0.67420 0.58130 0.28460 1.00000 0.02153
O6 0.42050 0.16900 0.75050 1.00000 0.01646
O7 0.07370 0.22880 0.83650 1.00000 0.01773
O8 0.50910 0.85000 0.86730 1.00000 0.01773
O9 0.16990 0.00910 0.62570 1.00000 0.01646
O10 0.16270 0.28380 0.57970 1.00000 0.01773
O11 0.93690 0.81860 0.62810 1.00000 0.01520
O12 -0.00570 0.12550 0.14900 1.00000 0.01900
O-H1 0.56320 0.85720 0.53960 1.00000 0.01773
O-H2 0.93120 0.46490 0.13910 1.00000 0.01646
Wat1 0.71310 0.04430 0.95430 1.00000 0.02280
Wat2 0.22280 0.48870 0.32630 1.00000 0.02406
Wat3 0.26480 0.67240 0.51700 1.00000 0.02406