#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017838.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_9017838
loop_
_publ_author_name
'Pekov, I. V.'
'Britvin, S. N.'
'Zubkova, N. V.'
'Chukanov, N. V.'
'Bryzfalov, I. A.'
'Lykova, I. S.'
'Belakovskiy, D. I.'
'Pushcharovsky, D. Y.'
_publ_section_title
;
 Vigrishinite, Zn2Ti4-xSi4O14(OH,H2O,[_])8, a new mineral from Lovozero
 alkaline massif (Kola Peninsula, Russia)
;
_journal_name_full
'Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva'
_journal_page_first              12
_journal_page_last               27
_journal_volume                  141
_journal_year                    2012
_chemical_compound_source
'Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24'
_chemical_name_mineral           Vigrishinite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.54
_cell_angle_beta                 98.29
_cell_angle_gamma                105.65
_cell_length_a                   8.743
_cell_length_b                   8.698
_cell_length_c                   11.581
_cell_volume                     837.184
_database_code_amcsd             0020035
_exptl_crystal_density_diffrn    2.951
_cod_data_source_file            inputs/fixed/downloads/20/20428.cif
_cod_data_source_block           20428
_cod_original_formula_sum
'Ti5.32 Nb.82 Zr.24 Fe.36 Zn2.62 Mg.14 Mn.44 K.16 Ba.04 Na.46 Ca.12 Si8 O41.42 H1.6'
_cod_database_code               9017838
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_occupancy
_atom_site_U_iso_or_equiv
Ti1 0.19730 -0.02350 0.27890 0.53000 0.04520
Nb1 0.19730 -0.02350 0.27890 0.20000 0.04520
Zr1 0.19730 -0.02350 0.27890 0.06000 0.04520
Ti2 0.33680 0.48480 0.72940 0.53000 0.04720
Nb2 0.33680 0.48480 0.72940 0.21000 0.04720
Zr2 0.33680 0.48480 0.72940 0.06000 0.04720
Ti3 0.68670 0.08610 0.98540 1.00000 0.04950
Ti4 0.80320 0.44960 0.00570 0.60000 0.03320
Fe4 0.80320 0.44960 0.00570 0.18000 0.03320
Zn1 0.57110 0.25560 0.71490 0.90000 0.04510
Zn2 0.50000 0.00000 0.50000 0.26000 0.03840
Mg2 0.50000 0.00000 0.50000 0.14000 0.03840
MnB1 0.42950 0.31690 0.99330 0.22000 0.05600
KB2 0.04940 0.13500 0.01520 0.08000 0.03300
BaB2 0.04940 0.13500 0.01520 0.02000 0.03300
ZnB3 0.01900 0.17100 0.28800 0.05000 0.01700
Zn3* -0.08500 0.25200 0.28400 0.03000 0.03200
NaA1 0.06900 0.42100 0.50510 0.23000 0.04900
CaA1 0.06900 0.42100 0.50510 0.06000 0.04900
ZnA2 0.28900 0.23030 0.48930 0.20000 0.03740
Si1 0.42450 0.88670 0.75880 1.00000 0.04220
Si2 0.26030 0.37510 0.23100 1.00000 0.04430
Si3 0.04840 0.58540 0.24530 1.00000 0.04320
Si4 0.20930 0.09210 0.77260 1.00000 0.04380
O1 0.23100 -0.00200 0.46120 0.91000 0.06500
O2 0.11980 0.43330 0.28440 1.00000 0.05200
O3 0.25470 0.20280 0.27940 1.00000 0.05300
O4 0.18880 -0.04220 0.11630 1.00000 0.05500
O5 -0.02490 -0.06920 0.27710 1.00000 0.05200
O6 0.80670 0.25840 0.70580 1.00000 0.04500
O7 0.38900 0.70240 0.71610 1.00000 0.05900
O8 0.25430 0.93320 0.72320 1.00000 0.05400
O9 0.98570 0.42390 0.89730 1.00000 0.04800
O10 0.56780 0.49220 0.72700 1.00000 0.05000
O11 0.55890 0.00840 0.69920 1.00000 0.04500
O12 0.32900 0.24910 0.72920 1.00000 0.05200
O13 0.76050 -0.09010 0.08120 1.00000 0.05800
O14 0.84020 0.25470 0.08020 1.00000 0.04800
O15 0.52270 0.24290 0.52990 0.78000 0.04600
O16 0.11090 0.43250 0.69220 1.00000 0.05200
O17 0.77550 0.62440 0.91280 1.00000 0.06000
O18 0.51960 0.07910 0.09820 1.00000 0.04400
O19 0.64120 0.27320 0.90980 1.00000 0.05100
O20 0.32990 0.50670 0.89030 0.84000 0.04400
O21 0.31900 0.45860 0.54450 0.78000 0.04600
Wat22 0.01200 0.23300 0.47400 0.40000 0.06600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020035