#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002730.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_9002730
loop_
_publ_author_name
'Della Ventura, G.'
'Bonazzi, P.'
'Oberti, R.'
'Ottolini, L.'
_publ_section_title
;
 Ciprianiite and mottanaite-(Ce), two new minerals
 of the hellandite group from Latium (Italy)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              739
_journal_page_last               744
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al0.479 B4 Be0.818 Ca4.604 Ce0.352 Dy0.002 Eu0.002 F0.49 Fe0.377 Gd0.008 H0.544 La0.09 Li0.038 Mg0.047 Mn0.016 Nd0.19 O22.544 Pr0.054 Si4 Sm0.02 Th0.628 Ti0.097 U0.034 Y0.016'
_chemical_name_mineral           Ciprianiite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.33
_cell_angle_gamma                90
_cell_length_a                   19.059
_cell_length_b                   4.729
_cell_length_c                   10.291
_cell_volume                     863.993
_exptl_crystal_density_diffrn    3.905
_[local]_cod_chemical_formula_sum_orig
'B4 Si4 Be.818 Li.038 Al.479 Fe.377 Ti.097 Mg.047 Mn.016 Ca4.604 La.09 Ce.352 Y.016 Pr.054 Nd.19 Sm.02 Eu.002 Gd.008 Dy.002 Th.628 U.034 H.544 O22.544 F.49'
_cod_database_code               9002730
_amcsd_database_code             AMCSD#0002818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,-z
1/2+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
B1 0.17330 0.52680 0.45150 1.00000 0.00950
B2 0.25290 0.46180 0.13290 1.00000 0.00899
Si1 0.10390 0.48490 0.65010 1.00000 0.00811
Si2 0.11270 0.49750 0.16160 1.00000 0.00899
BeT 0.03800 0.53500 0.86900 0.40900 0.01786
LiT 0.03800 0.53500 0.86900 0.01900 0.01786
AlM1 0.00000 0.00000 0.00000 0.47900 0.00925
FeM1 0.00000 0.00000 0.00000 0.37700 0.00925
TiM1 0.00000 0.00000 0.00000 0.09700 0.00925
MgM1 0.00000 0.00000 0.00000 0.04700 0.00925
MnM1 0.00000 0.00000 0.00000 0.01600 0.00925
CaM2 0.04290 0.01750 0.35980 0.30200 0.00836
LaM2 0.04290 0.01750 0.35980 0.04500 0.00836
CeM2 0.04290 0.01750 0.35980 0.17600 0.00836
YM2 0.04290 0.01750 0.35980 0.00800 0.00836
PrM2 0.04290 0.01750 0.35980 0.02700 0.00836
NdM2 0.04290 0.01750 0.35980 0.09500 0.00836
SmM2 0.04290 0.01750 0.35980 0.01000 0.00836
EuM2 0.04290 0.01750 0.35980 0.00100 0.00836
GdM2 0.04290 0.01750 0.35980 0.00400 0.00836
DyM2 0.04290 0.01750 0.35980 0.00100 0.00836
ThM2 0.04290 0.01750 0.35980 0.31400 0.00836
UM2 0.04290 0.01750 0.35980 0.01700 0.00836
CaM3 0.24760 0.00170 0.66110 1.00000 0.01115
CaM4 0.15640 0.96520 0.93120 1.00000 0.01077
H 0.04000 0.42000 0.90000 0.27200 0.02026
O1 0.04440 0.24410 0.56730 1.00000 0.01077
O2 0.17860 0.31790 0.75840 1.00000 0.01102
O3 0.07150 0.69910 0.73510 1.00000 0.01672
O4 0.13310 0.66720 0.54110 1.00000 0.01191
F5 0.03700 0.19350 0.87000 0.24500 0.01431
O-h5 0.03700 0.19350 0.87000 0.27200 0.01431
O6 0.24710 0.75830 0.85850 1.00000 0.01039
O7 0.16800 0.22850 0.44640 1.00000 0.01013
O8 0.13300 0.67070 0.30900 1.00000 0.01292
O9 0.18640 0.32600 0.15810 1.00000 0.01229
O10 0.08470 0.72970 0.03950 1.00000 0.01659
O11 0.05200 0.25560 0.15580 1.00000 0.01646
O12 0.25000 0.33530 0.00000 1.00000 0.01153
O13 0.25000 0.64810 0.50000 1.00000 0.01064