#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017606.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_9017606
loop_
_publ_author_name
'Nagashima, M.'
'Nishio-Hamane D'
'Tomita, N.'
'Minakawa, T.'
'Inaba, S.'
_publ_section_title
;
 Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan
 Case 2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2739
_journal_page_last               2752
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Ise, Mie Prefecture, Japan'
_chemical_formula_sum
'Al0.92 Ca0.76 Ce0.14 Fe1.01 H La0.46 Mg0.06 Mn0.69 Nd0.18 O13 Pr0.07 Si3 Ti0.08 V0.63'
_chemical_name_mineral           Vanadoallanite-(La)
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.120
_cell_angle_gamma                90
_cell_length_a                   8.8985
_cell_length_b                   5.7650
_cell_length_c                   10.1185
_cell_formula_units_Z            2
_cell_volume                     473.758
_database_code_amcsd             0019978
_exptl_crystal_density_diffrn    4.203
_cod_data_source_file            inputs/fixed/downloads/18/18512.cif
_cod_data_source_block           18512
_cod_original_formula_sum
'Ca.76 Mn.69 La.46 Ce.14 Pr.07 Nd.18 V.63 Fe1.01 (Al.92 Ti.08) Mg.06 Si3 O13 H'
_cod_database_code               9017606
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+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
CaA1 -0.76020 0.75000 0.15207 0.61000 0.01260
MnA1 -0.76020 0.75000 0.15207 0.39000 0.01260
LaA2 0.59344 0.75000 0.42812 0.46000 0.01005
CeA2 0.59344 0.75000 0.42812 0.14000 0.01005
PrA2 0.59344 0.75000 0.42812 0.07000 0.01005
NdA2 0.59344 0.75000 0.42812 0.18000 0.01005
CaA2 0.59344 0.75000 0.42812 0.15000 0.01005
V3+M1 0.00000 0.00000 0.00000 0.58000 0.00830
Fe3+M1 0.00000 0.00000 0.00000 0.42000 0.00830
AlM2 0.00000 0.00000 0.50000 0.92000 0.00690
Ti4+M2 0.00000 0.00000 0.50000 0.08000 0.00690
Fe2+M3 0.30910 0.25000 0.21191 0.56000 0.01100
Mn2+M3 0.30910 0.25000 0.21191 0.30000 0.01100
MgM3 0.30910 0.25000 0.21191 0.06000 0.01100
V3+M3 0.30910 0.25000 0.21191 0.05000 0.01100
Fe3+M3 0.30910 0.25000 0.21191 0.03000 0.01100
Si1 0.34460 0.75000 0.03560 1.00000 0.00890
Si2 0.69050 0.25000 0.28060 1.00000 0.00900
Si3 0.19130 0.75000 0.32570 1.00000 0.00810
O1 0.24010 0.98840 0.02420 1.00000 0.01270
O2 0.31590 0.97020 0.36520 1.00000 0.01070
O3 0.80020 0.01400 0.33300 1.00000 0.01200
O4 0.05900 0.25000 0.13730 1.00000 0.01270
O5 0.05100 0.75000 0.15720 1.00000 0.01130
O6 0.07550 0.75000 0.41680 1.00000 0.01100
O7 0.51260 0.75000 0.17610 1.00000 0.01440
O8 0.54980 0.25000 0.34060 1.00000 0.01890
O9 0.60570 0.25000 0.10370 1.00000 0.01520
O10 0.08950 0.25000 0.43070 1.00000 0.01120
H10 0.07200 0.25000 0.32800 1.00000 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019978
