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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/23/9002391.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_9002391
loop_
_publ_author_name
'Miyawaki, R.'
'Matsubara, S.'
'Yokoyama, K.'
'Takeuchi, K.'
'Nakai, I.'
'Terada, Y.'
_publ_section_title
;
 Kozoite-(Nd), Nd(CO3)(OH), a new mineral in an alkali olivine basalt
 from Hizen-cho, Saga Prefecture, Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1076
_journal_page_last               1081
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
;C Ca0.02 Ce0.005 Dy0.005 Eu0.025 Gd0.04 La0.305 Nd0.425 O4 Pr0.09 Sm0.07
 Y0.015
;
_chemical_name_mineral           Kozoite-(Nd)
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9829
_cell_length_b                   8.5188
_cell_length_c                   7.2570
_cell_volume                     308.048
_exptl_crystal_density_diffrn    4.671
_[local]_cod_chemical_formula_sum_orig
'(Nd.425 La.305 Pr.09 Sm.07 Gd.04 Eu.025 Ce.005 Dy.005 Y.015 Ca.02) C O4'
_cod_database_code               9002391
_amcsd_database_code             AMCSD#0002474
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-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
Nd 0.25000 0.33460 0.64570 0.42500 0.00253
La 0.25000 0.33460 0.64570 0.30500 0.00253
Pr 0.25000 0.33460 0.64570 0.09000 0.00253
Sm 0.25000 0.33460 0.64570 0.07000 0.00253
Gd 0.25000 0.33460 0.64570 0.04000 0.00253
Eu 0.25000 0.33460 0.64570 0.02500 0.00253
Ce 0.25000 0.33460 0.64570 0.00500 0.00253
Dy 0.25000 0.33460 0.64570 0.00500 0.00253
Y 0.25000 0.33460 0.64570 0.01500 0.00253
Ca 0.25000 0.33460 0.64570 0.02000 0.00253
C 0.75000 0.18800 0.77700 1.00000 0.00507
O1 0.75000 0.31400 0.69700 1.00000 0.01267
O2 0.53700 0.11310 0.84800 1.00000 0.01267
O3 0.25000 0.41700 0.00300 1.00000 0.02533